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Small molecule Experimental
AACT ChEMBL DrugBank Drug Central KEGG MeSH PubChem

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Chemistry

Mol. Mass

353.3255

ALogP

3.52

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC(=O)CC(C1=CC=C(C=C1)[N+]([O-])=O)C2=C(O)C3=C(OC2=O)C=CC=C3
  • InChIKey: VABCILAOYCMVPS-UHFFFAOYSA-N
    1S/C19H15NO6/c1-11(21)10-15(12-6-8-13(9-7-12)20(24)25)17-18(22)14-4-2-3-5-16(14)26-19(17)23/h2-9,15,22H,10H2,1H3
  • Chirality: Racemic Mixture
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL397420   ChEMBL
acenocoumarol

I6WP63U32H   NCATS
acenocoumarol *

Acenocoumarol   Wikipedia

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