BENZO (A) PYRENE Next Previous

ChEMBL ID CHEMBL31184
PubChem CID 2336
DrugBank Accession Number
ClinicalTrials BENZO (A) PYRENE
Molecular Formula C20H12
Inchikey FMMWHPNWAFZXNH-UHFFFAOYSA-N

Smiles
c1ccc2c(c1)cc3ccc4cccc5ccc2c3c45

Synonyms
Benzo[A]Pyrene, Benzo[Def]Chrysene, SID89854989, SID84204, Benzo[A]-Pyrene, Benzopyrene

Libraries
O'Brien

Compound Properties
Drug/Drug-like Properties
Known Drug
Medchem Alerts
Passes of Rule of 3
Rule of 5 Violations 0
Molecular Species
Molecular Properties
Molecular Weight 252.31
Rotatable Bonds 0
Acidic pKa (ACD) -
Basic pKa (ACD) -
LogP (ACD) 6.19
LogD (ACD) 6.19
ALogP 4.85
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