Fluoranthene
PubChem CID: 9154
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| Compound Synonyms | FLUORANTHENE, 206-44-0, Idryl, 1,2-Benzacenaphthene, Benzo(jk)fluorene, Benzo[jk]fluorene, RCRA waste number U120, 1,2-(1,8-Naphthylene)benzene, Benzo[j,k]fluorene, Benzene, 1,2-(1,8-naphthalenediyl)-, NSC 6803, 1,2-(1,8-Naphthalenediyl)benzene, Benzene, 1,2-(1,8-naphthylene)-, Fluoranthrene, Fluroanthene, CCRIS 1034, ClusterCarbon, HSDB 5486, EINECS 205-912-4, Benzo(j,k)fluorene, UNII-360UOL779Z, DTXSID3024104, CHEBI:33083, 360UOL779Z, NSC-6803, FLUORANTHENE [HSDB], FLUORANTHENE [IARC], DTXCID204104, 1,2-(1,8-Naphthalene)benzene, Fluoranthene, 98%, FLUORANTHENE (IARC), 76774-50-0, Fluoranthene, analytical standard, Benzacenaphthylene, CAS-206-44-0, Fluoranthene Solution in Acetonitrile, 1000ug/mL, RCRA waste no. U120, 1,2Benzacenaphthene, MFCD00001184, 1,8-Naphthylene)benzene, MLS002177805, 1,2(1,8Naphthylene)benzene, BENZO (J,K) FLUORENE, CHEMBL355014, 1,2(1,8Naphthalenediyl)benzene, Benzene, 1,2(1,8naphthylene), Benzene,2-(1,8-naphthylene)-, NSC6803, 1,2-(1, 8-Naphthylene)benzene, HMS2268M14, WLN: L C6566 1A PJ, Benzene, 1,2(1,8naphthalenediyl), Benzene,2-(1,8-naphthalenediyl)-, Tox21_201835, Tox21_300480, CCG-50891, STL570455, AKOS003617663, MSK4311-1000A, NCGC00090998-01, NCGC00090998-02, NCGC00090998-03, NCGC00090998-04, NCGC00254498-01, NCGC00259384-01, AS-39328, Fluoranthene 10 microg/mL in Cyclohexane, SB 00542, SMR000112026, 1ST4311-1000A, Fluoranthene 10 microg/mL in Acetonitrile, Fluoranthene 100 microg/mL in Acetonitrile, F0016, NS00010700, C19425, EN300-177281, A814763, Fluoranthene, BCR(R) certified Reference Material, Q423462, SR-01000640231-1, F0074-0087, Fluoranthene, certified reference material, TraceCERT(R), 1D41162B-880B-494F-9960-6EEAC8E4EEE3, 205-912-4 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)C1CCCC3CCCC2C31 |
| Deep Smiles | cccc-ccc-c5c9))cccc6ccc%10 |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Naphthalenes |
| Scaffold Graph Node Level | C1CCC2C(C1)C1CCCC3CCCC2C31 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 243.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a., Q99714, P16473, P00352, P28482, Q9Y468, P15917, Q13315, O75164, Q96KQ7, Q9UIF8, Q13951, P19793, P83916, Q12809, Q03181, P08659, O89049, P19838, Q16236, P17405, P63092, P10275 |
| Iupac Name | fluoranthene |
| Prediction Hob | 1.0 |
| Class | Naphthalenes |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Target Id | NPT149, NPT210, NPT94, NPT282, NPT864, NPT524 |
| Xlogp | 5.2 |
| Superclass | Benzenoids |
| Gsk 4 400 Rule | False |
| Molecular Formula | C16H10 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)-c1cccc3cccc-2c13 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GVEPBJHOBDJJJI-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 0.0 |
| Logs | -6.534 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.817 |
| Synonyms | Benzo[JK]fluorene, floranthene, fluoranthene |
| Esol Class | Moderately soluble |
| Compound Name | Fluoranthene |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 202.078 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 202.078 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 202.25 |
| 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 | -5.0847872 |
| Inchi | InChI=1S/C16H10/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h1-10H |
| Smiles | C1=CC=C2C(=C1)C3=CC=CC4=C3C2=CC=C4 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Naphthalenes |
- 1. Outgoing r'ship
FOUND_INto/from Cichorium Intybus (Plant) Rel Props:Reference:ISBN:9780387706375 - 2. Outgoing r'ship
FOUND_INto/from Pinellia Ternata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Salvia Hispanica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Trichosanthes Rosthornii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all