Acenaphthene
PubChem CID: 6734
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | ACENAPHTHENE, 83-32-9, 1,2-Dihydroacenaphthylene, 1,8-Ethylenenaphthalene, peri-Ethylenenaphthalene, Naphthyleneethylene, Acenaphthylene, 1,2-dihydro-, Ethylenenaphthalene, 1,8-Dihydroacenaphthalene, acenapthene, CCRIS 5951, HSDB 2659, UNII-V8UT1GAC5Y, V8UT1GAC5Y, NSC 7657, EINECS 201-469-6, DTXSID3021774, CHEBI:22154, AI3-00128, NSC-7657, ACENAPHTHENE [MI], MFCD00003807, ACENAPHTHENE [HSDB], ACENAPHTHENE [IARC], DTXCID201774, EC 201-469-6, ACENAPHTHENE (IARC), CAS-83-32-9, Acenaphthene (1,2-Dihydro Acenaphthylene), Acenaphtene, Acenafeno, Acenaphthene, 1,2-Dihydroacenaphthylene, peri-Ethylenenaphthalene, 1,8-Ethylenenaphthalene, Acenaphthene solution, Acenafeno (Spanish), Acenaphthene, 97%, Acenaphthene, 99%, ACENAPHTHENE,, 1,8Ethylenenaphthalene, 1,2Dihydroacenaphthylene, 1,8Dihydroacenaphthalene, 1, 2-Dihydroacenaphthylene, PERIETHYLENENAPHTHALENE, Naphthalene, 1,8-ethylene-, BIDD:GT0787, CHEMBL1797271, Acenaphthene, analytical standard, 1,8-DIHYDROACENAPHTHYLENE, NSC7657, Tox21_202400, Tox21_300013, STL483068, AKOS000119983, FA06996, FS-4341, NCGC00163966-01, NCGC00163966-02, NCGC00163966-03, NCGC00163966-04, NCGC00254079-01, NCGC00259949-01, AC-19767, AI300128, Acenaphthene 10 microg/mL in Acetonitrile, Acenaphthene 100 microg/mL in Acetonitrile, DB-056708, A0003, A0135, NS00006748, EN300-17412, C19312, D97698, Acenaphthene Zone Refined (number of passes:30), Q415103, 07C - Polycyclic Aromatic Hydrocarbons (2 Spikes), 19C - Polycyclic Aromatic Hydrocarbons (2 Spikes), Z56926550, 73BCD470-1E93-4E76-BF03-E06FB8FE00EA, Acenaphthene, certified reference material, TraceCERT(R), F1908-0103, 201-469-6 |
|---|---|
| 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 | C1CC2CCCC3CCC(C1)C23 |
| Np Classifier Class | Phenanthrenes |
| Deep Smiles | cccccccc6cc%10)CC5 |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Naphthalenes |
| Scaffold Graph Node Level | C1CC2CCCC3CCC(C1)C23 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 155.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P04150, P19838, P10275, P04792 |
| Iupac Name | 1,2-dihydroacenaphthylene |
| Prediction Hob | 1.0 |
| Class | Naphthalenes |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.9 |
| Superclass | Benzenoids |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H10 |
| Scaffold Graph Node Bond Level | c1cc2c3c(cccc3c1)CC2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CWRYPZZKDGJXCA-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.1666666666666666 |
| Logs | -4.951 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.483 |
| Synonyms | Peri-ethylenenaphthalene, acenaphthene |
| Esol Class | Soluble |
| Compound Name | Acenaphthene |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 154.078 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.078 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 154.21 |
| 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 | -3.882381066666666 |
| Inchi | InChI=1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2 |
| Smiles | C1CC2=CC=CC3=C2C1=CC=C3 |
| Nring | 3.0 |
| 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 Artemisia Dracunculus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2010.9700327 - 2. Outgoing r'ship
FOUND_INto/from Artemisia Scoparia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Ginkgo Biloba (Plant) Rel Props:Reference:ISBN:9780896038776; ISBN:9788185042114 - 4. Outgoing r'ship
FOUND_INto/from Salvia Coccinea (Plant) Rel Props:Reference:ISBN:9788185042145