Naphthalene
PubChem CID: 931
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | naphthalene, 91-20-3, Naphthalin, Albocarbon, Tar camphor, White tar, Naphthene, Naphthaline, Camphor tar, Moth balls, Moth flakes, naphtalene, Dezodorator, Naftalen, Mighty 150, Naphthalinum, RCRA waste number U165, Mighty RD1, naftaleno, naftalina, naphtaline, naphthalen, napthalene, Naphtalinum, Mothballs, Caswell No. 587, NCI-C52904, Naphthalene, pure, NSC 37565, CCRIS 1838, HSDB 184, Naphtalene [ISO:French], EINECS 202-049-5, NSC-37565, EPA Pesticide Chemical Code 055801, UNII-2166IN72UN, DTXSID8020913, CHEBI:16482, AI3-00278, 2166IN72UN, MFCD00001742, Naphthalene-1,2,3,4-13C4, UN1334, CHEMBL16293, DTXCID00913, EC 202-049-5, NSC37565, Naphthalene, 99%, NCGC00090793-02, 287399-39-7, Naphtalene (ISO:French), NAPHTHALENE (IARC), NAPHTHALENE [IARC], NAPHTHALENE (MART.), NAPHTHALENE [MART.], Naftalen [Polish], NAPHTHALENE (USP-RS), NAPHTHALENE [USP-RS], Naphthalene, analytical standard, Naphthalene [BSI:ISO], C10H8, CAS-91-20-3, Naphthalene, molten, Naphthalene (molten), UN2304, RCRA waste no. U165, NAPHTHALENE (1,2,3,4,5,6,7,8-D8), Naphthalene, crude or refined, 2-naphthalen, 1-Naphthalene, 2-Naphthalene, Na-Cemmix, Naphthalene,(S), Naphthalene, 98%, 1,4-naphthalenediyl, NAPHTHALENE [MI], NAPHTHALENE [ISO], NAPHTHALENE [HSDB], NAPHTHALENE, REFINED, NAPHTHALINUM [HPUS], NAPHTHALENE [WHO-DD], MLS001055498, WLN: L66J, BIDD:ER0665, DTXSID201315549, HMS3039N15, Tox21_111023, Tox21_202004, Tox21_300008, BDBM50159249, Naphthalene, for synthesis, 98.5%, STL282720, AKOS000119977, USEPA/OPP Pesticide Code 055801, FN10260, Naphthalene 100 microg/mL in Methanol, UN 1334, UN 2304, Naphthalene 10 microg/mL in Cyclohexane, NCGC00090793-01, NCGC00090793-03, NCGC00090793-04, NCGC00090793-05, NCGC00254058-01, NCGC00259553-01, BS-22320, Naphthalene 10 microg/mL in Acetonitrile, SMR000677944, Naphthalene 100 microg/mL in Acetonitrile, Naphthalene, SAJ first grade, >=98.0%, DB-361346, N0004, N0885, NS00008377, EN300-21626, C00829, D97670, SBI-0654024.0001, Naphthalene, suitable for scintillation, >=99%, L001166, Naphthalene, molten [UN2304] [Flammable solid], Q179724, SR-01000854997, Melting point standard 79-81C, analytical standard, SR-01000854997-2, F0001-2217, Naphthalene, certified reference material, TraceCERT(R), Z104506008, Naphthalene, crude or refined [UN1334] [Flammable solid], Naphthalene, United States Pharmacopeia (USP) Reference Standard, InChI=1/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8, Naphthalene, Pharmaceutical Secondary Standard, Certified Reference Material, 202-049-5, 31807-65-5 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCCC2C1 |
| Np Classifier Class | Phenanthrenes |
| Deep Smiles | cccccc6)cccc6 |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Naphthalenes |
| Description | Found in many essential oils Naphthalene is an organic compound with formula C10H8. It is a white crystalline solid with a characteristic odor that is detectable at concentrations as low as 0.08 ppm by mass. Trace amounts of naphthalene are produced by magnolias and specific types of deer, as well as the Formosan subterranean termite. Some strains of the endophytic fungus Muscodor albus produce naphthalene among a range of volatile organic compounds, while Muscodor vitigenus produces naphthalene almost exclusively . |
| Scaffold Graph Node Level | C1CCC2CCCCC2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 80.6 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P02769, P05177, P11509, P20852, Q9F4F7, P18054, P10275, O89049, O75496, n.a., Q03431 |
| Iupac Name | naphthalene |
| Prediction Hob | 1.0 |
| Class | Naphthalenes |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Target Id | NPT208, NPT240, NPT1119 |
| Xlogp | 3.3 |
| Superclass | Benzenoids |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H8 |
| Scaffold Graph Node Bond Level | c1ccc2ccccc2c1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UFWIBTONFRDIAS-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.0 |
| Logs | -3.657 |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Logd | 3.337 |
| Synonyms | Albocarbon, Camphor tar, Moth balls, Moth flakes, Mothballs, Naftalen, Naftaleno, Naftalina, Naphtalene, Naphtaline, Naphthalen, Naphthalene, Naphthalin, Naphthaline, Naphthene, Tar camphor, Tolboxane, White tar, naphthalene |
| Substituent Name | Naphthalene, Polycyclic hydrocarbon, Hydrocarbon, Aromatic homopolycyclic compound |
| Esol Class | Soluble |
| Compound Name | Naphthalene |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 128.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 128.063 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 128.169 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -3.4536787999999996 |
| Inchi | InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H |
| Smiles | C1=CC=C2C=CC=CC2=C1 |
| Nring | 2.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Naphthalenes |
| Np Classifier Superclass | Phenanthrenoids |
- 1. Outgoing r'ship
FOUND_INto/from Acinos Alpinus (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199901/02)14:1<55::aid-ffj784>3.0.co;2-q - 2. Outgoing r'ship
FOUND_INto/from Actinidia Arguta (Plant) Rel Props:Reference:https://doi.org/10.1016/s0031-9422(03)00142-0 - 3. Outgoing r'ship
FOUND_INto/from Adansonia Digitata (Plant) Rel Props:Reference:https://doi.org/10.1016/j.lwt.2018.03.014 - 4. Outgoing r'ship
FOUND_INto/from Amomum Subulatum (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(1998090)13:5<349::aid-ffj758>3.0.co;2-o - 5. Outgoing r'ship
FOUND_INto/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Artemisia Absinthium (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2010.10643792 - 9. Outgoing r'ship
FOUND_INto/from Artemisia Vulgaris (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2010.10643792 - 10. Outgoing r'ship
FOUND_INto/from Asarum Sieboldii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Atractylodes Macrocephala (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Brassica Oleracea (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699748 - 14. Outgoing r'ship
FOUND_INto/from Brassica Rapa (Plant) Rel Props:Reference:ISBN:9788171360536 - 15. Outgoing r'ship
FOUND_INto/from Capparis Spinosa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2015.1113205 - 16. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:fooddb_chem_all - 17. Outgoing r'ship
FOUND_INto/from Carya Illinoinensis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9700023 - 18. Outgoing r'ship
FOUND_INto/from Chrysopogon Zizanioides (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2013.862075 - 19. Outgoing r'ship
FOUND_INto/from Cichorium Intybus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644038 - 20. Outgoing r'ship
FOUND_INto/from Cinnamomum Philippinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 21. Outgoing r'ship
FOUND_INto/from Citrus Limon (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1456363 - 22. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644111 - 23. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1456363 - 24. Outgoing r'ship
FOUND_INto/from Codiaeum Variegatum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1422440 - 25. Outgoing r'ship
FOUND_INto/from Coffea Arabica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.977580 - 26. Outgoing r'ship
FOUND_INto/from Coffea Canephora (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.977580 - 27. Outgoing r'ship
FOUND_INto/from Crocus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 28. Outgoing r'ship
FOUND_INto/from Cupressus Funebris (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9700001 - 29. Outgoing r'ship
FOUND_INto/from Cupressus Lusitanica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1997.10554249 - 30. Outgoing r'ship
FOUND_INto/from Cyperus Rotundus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 31. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 32. Outgoing r'ship
FOUND_INto/from Decalepis Hamiltonii (Plant) Rel Props:Reference:https://doi.org/10.1002/1099-1026(200101/02)16:1<27::aid-ffj937>3.0.co;2-f - 33. Outgoing r'ship
FOUND_INto/from Garcinia Mangostana (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.884759 - 34. Outgoing r'ship
FOUND_INto/from Isodon Wightii (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1211963 - 35. Outgoing r'ship
FOUND_INto/from Juglans Nigra (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 36. Outgoing r'ship
FOUND_INto/from Juglans Regia (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9700023 - 37. Outgoing r'ship
FOUND_INto/from Juniperus Chinensis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9700001 - 38. Outgoing r'ship
FOUND_INto/from Juniperus Excelsa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1990.9697815 - 39. Outgoing r'ship
FOUND_INto/from Juniperus Phoenicea (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9700642 - 40. Outgoing r'ship
FOUND_INto/from Juniperus Recurva (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9700832 - 41. Outgoing r'ship
FOUND_INto/from Juniperus Rigida (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9698461 - 42. Outgoing r'ship
FOUND_INto/from Juniperus Semiglobosa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1992.9698036 - 43. Outgoing r'ship
FOUND_INto/from Kigelia Africana (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1723 - 44. Outgoing r'ship
FOUND_INto/from Lantana Camara (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2006.10643463 - 45. Outgoing r'ship
FOUND_INto/from Lycium Barbarum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 46. Outgoing r'ship
FOUND_INto/from Lycium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 47. Outgoing r'ship
FOUND_INto/from Mangifera Indica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700111 - 48. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 49. Outgoing r'ship
FOUND_INto/from Morus Bombycis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 50. Outgoing r'ship
FOUND_INto/from Murraya Koenigii (Plant) Rel Props:Reference:ISBN:9770972795006 - 51. Outgoing r'ship
FOUND_INto/from Murraya Paniculata (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199801/02)13:1<59::aid-ffj693>3.0.co;2-l - 52. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 53. Outgoing r'ship
FOUND_INto/from Nicotiana Rustica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9698517 - 54. Outgoing r'ship
FOUND_INto/from Ocimum Americanum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1543031 - 55. Outgoing r'ship
FOUND_INto/from Origanum Vulgare (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1233831 - 56. Outgoing r'ship
FOUND_INto/from Orthosiphon Thymiflorus (Plant) Rel Props:Reference:ISBN:9770972795006 - 57. Outgoing r'ship
FOUND_INto/from Oryza Sativa (Plant) Rel Props:Source_db:fooddb_chem_all - 58. Outgoing r'ship
FOUND_INto/from Pachira Aquatica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2019.1571950 - 59. Outgoing r'ship
FOUND_INto/from Pelargonium Graveolens (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.12067128 - 60. Outgoing r'ship
FOUND_INto/from Pelargonium Reniforme (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199805/06)13:3<209::aid-ffj731>3.0.co;2-u - 61. Outgoing r'ship
FOUND_INto/from Perilla Frutescens (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699907 - 62. Outgoing r'ship
FOUND_INto/from Phyllanthus Amarus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700201 - 63. Outgoing r'ship
FOUND_INto/from Pimenta Dioica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1524793 - 64. Outgoing r'ship
FOUND_INto/from Pimpinella Acuminata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699100 - 65. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2013.831562 - 66. Outgoing r'ship
FOUND_INto/from Pistacia Vera (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9698558 - 67. Outgoing r'ship
FOUND_INto/from Polygala Senega (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730100408 - 68. Outgoing r'ship
FOUND_INto/from Psidium Guajava (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2019.1574213 - 69. Outgoing r'ship
FOUND_INto/from Pterocarpus Macrocarpus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1278183 - 70. Outgoing r'ship
FOUND_INto/from Rhus Coriaria (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1993.9698267 - 71. Outgoing r'ship
FOUND_INto/from Ribes Rubrum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2018.1547226 - 72. Outgoing r'ship
FOUND_INto/from Rosa Damascena (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.890081 - 73. Outgoing r'ship
FOUND_INto/from Rosmarinus Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2005.10643423 - 74. Outgoing r'ship
FOUND_INto/from Ruta Graveolens (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1989.9697787 - 75. Outgoing r'ship
FOUND_INto/from Salvia Virgata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2007.10643550 - 76. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 77. Outgoing r'ship
FOUND_INto/from Spondias Mombin (Plant) Rel Props:Reference:https://doi.org/10.1080/0972-060x.2003.10643343 - 78. Outgoing r'ship
FOUND_INto/from Syzygium Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 79. Outgoing r'ship
FOUND_INto/from Tectona Grandis (Plant) Rel Props:Reference:ISBN:9780387706375 - 80. Outgoing r'ship
FOUND_INto/from Trifolium Repens (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2010.9700417 - 81. Outgoing r'ship
FOUND_INto/from Ventilago Maderaspatana (Plant) Rel Props:Reference:ISBN:9780387706375 - 82. Outgoing r'ship
FOUND_INto/from Viscum Album (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9701029 - 83. Outgoing r'ship
FOUND_INto/from Zanthoxylum Armatum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1991.9697990 - 84. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all