coumarin Report issue

Small molecule Experimental
AACT ChEMBL DrugBank Drug Central KEGG MeSH PubChem

Back

Chemistry

Mol. Mass

146.1427

ALogP

1.45

Rule of 5

Yes

Rule of 3

Yes
Details
  • SMILES: O=C1OC2=C(C=CC=C2)C=C1
  • InChIKey: ZYGHJZDHTFUPRJ-UHFFFAOYSA-N
    1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL278172   ChEMBL
benzocaine

CHEMBL6466   ChEMBL
coumarin

A4VZ22K1WT   NCATS
coumarin *

Coumarin   Wikipedia

Feedback

Data collection and curation is an ongoing process for CDEK - if you notice any information here to be missing or incorrect, please let us know! When possible, please include a source URL (we verify all data prior to inclusion).

Report issue