Acenaphthylene
PubChem CID: 9161
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| Compound Synonyms | ACENAPHTHYLENE, 208-96-8, Acenaphthalene, Cyclopenta[de]naphthalene, Cyclopenta(de)naphthalene, acenapthylene, HSDB 2661, EINECS 205-917-1, NSC 59821, DTXSID3023845, CHEBI:33081, UNII-1Z25C36811, NSC-59821, ACENAPHTHYLENE [HSDB], DTXCID103845, 1Z25C36811, MFCD00003806, 34493-60-2, CAS-208-96-8, Acenaphthylene-2a,3,4,5,5a,8b-13C6, acenaphthylen, Acenaphthylene, Cyclopenta[de]naphthalene, NSC 59821, acenaphthyene, Acenaphthylene, radical ion(1-), Acenaphthylene solution, Acenaphthylene, 75%, Acenaphthylene, 99%, Acenaphthylene 10 microg/mL in Cyclohexane, Acenaphthylene 10 microg/mL in Acetonitrile, Acenaphthylene (Standard), Acenaphthylene 100 microg/mL in Acetonitrile, CHEMBL2132328, Acenaphthylene, analytical standard, BCP15705, HY-W013570R, NSC59821, Tox21_201825, Tox21_300587, AKOS015901063, CS-W014286, FA60812, HY-W013570, NCGC00163967-01, NCGC00163967-02, NCGC00163967-03, NCGC00254399-01, NCGC00259374-01, AC-26296, DS-16915, SY048170, DB-243010, A0005, NS00010697, EN300-113937, O11681, A815009, Q415128, Acenaphthylene, certified reference material, TraceCERT(R), 205-917-1 |
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| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 184.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q16236, P19838 |
| Iupac Name | acenaphthylene |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C12H8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HXGDTGSAIMULJN-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -4.633 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.541 |
| Compound Name | Acenaphthylene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 152.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.063 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 152.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8824818666666663 |
| Inchi | InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H |
| Smiles | C1=CC2=C3C(=C1)C=CC3=CC=C2 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Trichosanthes Kirilowii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all