UMBELLIFERONE Next Previous

ChEMBL ID CHEMBL51628
PubChem CID 5281426
DrugBank Accession Number
ClinicalTrials UMBELLIFERONE
Molecular Formula C9H6O3
Inchikey ORHBXUUXSCNDEV-UHFFFAOYSA-N

Smiles
Oc1ccc2C=CC(=O)Oc2c1

Synonyms
SID89850282, SID26749818, NSC-019790, SID82592

Compound Properties
Drug/Drug-like Properties
Known Drug
Medchem Alerts
Passes of Rule of 3
Rule of 5 Violations 0
Molecular Species NEUTRAL
Molecular Properties
Molecular Weight 162.14
Rotatable Bonds 0
Acidic pKa (ACD) 7.89
Basic pKa (ACD) -
LogP (ACD) 1.58
LogD (ACD) 1.46
ALogP 1.66
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