BENZOIC ACID Next Previous

ChEMBL ID CHEMBL541
PubChem CID 20144841
DrugBank Accession Number DB03793
ClinicalTrials BENZOIC ACID
Molecular Formula C7H6O2
Inchikey WPYMKLBDIGXBTP-UHFFFAOYSA-N
Cas Number 65-85-0

Smiles
O=C(O)c1ccccc1

Synonyms
Benzoate, Benzoic Acid, BENZOIC ACID, E210, WHITFIELD'S, Benzoic acid

Libraries
ScreenWell

Compound Properties
Drug/Drug-like Properties
Known Drug
Medchem Alerts None
Passes of Rule of 3
Rule of 5 Violations 0
Molecular Species ACID
Molecular Properties
Molecular Weight 122.12
Rotatable Bonds 1
Acidic pKa (ACD) -
Basic pKa (ACD) -
LogP (ACD) -
LogD (ACD) -
ALogP 1.38
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