ISOTRETINOIN Next Previous

ChEMBL ID CHEMBL547
PubChem CID 5282379
DrugBank Accession Number DB00982
ClinicalTrials ISOTRETINOIN
Molecular Formula C20H28O2
Inchikey SHGAZHPCJJPHSC-XFYACQKRSA-N

Smiles
C\C(=C\C(=O)O)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C

Synonyms
Ro-43780, Absorica, Isotretinoin, SID90341473, Accutane, Myorisan, SID47193696, SID50106981, Sotret, 13 Cis-Retinoic Acid, Claravis, Amnesteem

Libraries
O'Brien

Compound Properties
Drug/Drug-like Properties
Known Drug
Medchem Alerts
Passes of Rule of 3
Rule of 5 Violations 1
Molecular Species ACID
Molecular Properties
Molecular Weight 300.44
Rotatable Bonds 5
Acidic pKa (ACD) 4.76
Basic pKa (ACD) -
LogP (ACD) 6.26
LogD (ACD) 3.66
ALogP 5.55
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