chlorogenic acid Report issue

Small molecule Experimental
AACT DrugBank PubChem

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Chemistry

Mol. Mass

354.31

ALogP

-0.65

Rule of 5

No

Rule of 3

No
Details
  • SMILES: O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O
  • InChIKey: CWVRJTMFETXNAD-JUHZACGLSA-N
    InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL284616   ChEMBL
chlorogenic acid

Chlorogenic acid   Wikipedia

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