TOLCAPONE Next Previous

ChEMBL ID CHEMBL1324
PubChem CID 4659569
DrugBank Accession Number DB00323
ClinicalTrials TOLCAPONE
Molecular Formula C14H11NO5
Inchikey MIQPIUSUKVNLNT-UHFFFAOYSA-N

Smiles
Cc1ccc(cc1)C(=O)c2cc(O)c(O)c(c2)[N+](=O)[O-]

Synonyms
Tasmar, Ro-407592, Tolcapone, SID144206516, Ro-40-7592, SID50126317

Libraries
ScreenWell

Compound Properties
Drug/Drug-like Properties
Known Drug
Medchem Alerts
Passes of Rule of 3
Rule of 5 Violations 0
Molecular Species ACID
Molecular Properties
Molecular Weight 273.24
Rotatable Bonds 3
Acidic pKa (ACD) 4.78
Basic pKa (ACD) -
LogP (ACD) 3.02
LogD (ACD) 0.76
ALogP 3.13
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