ENTACAPONE Next Previous

ChEMBL ID CHEMBL953
PubChem CID 5281081
DrugBank Accession Number DB00494
ClinicalTrials ENTACAPONE
Molecular Formula C14H15N3O5
Inchikey JRURYQJSLYLRLN-BJMVGYQFSA-N

Smiles
CCN(CC)C(=O)\C(=C\c1cc(O)c(O)c(c1)[N+](=O)[O-])\C#N

Synonyms
Comtan, Entacapone, OR-611, SID26757974

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 305.29
Rotatable Bonds 5
Acidic pKa (ACD) 5.15
Basic pKa (ACD) -
LogP (ACD) 2.12
LogD (ACD) 0.1
ALogP 1.66
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