CHLOROGENIC-ACID
PubChem ID
1794427
Chemical Name
CHLOROGENIC-ACID
Molecular Formula
C16H18O9
Canonical SMILES
C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O
IUPAC Name
(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
9
Molecular Weight
354.311 g/mol
XLogP
-0.4
Rotatable Bond Count
5
Lipinsky's Rule of Five
No
Sources
Ginger
