gallic acid

Ligand id: 5549

Name: gallic acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 4
Rotatable bonds 1
Topological polar surface area 97.99
Molecular weight 170.02
XLogP 0
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
3,4,5-Trihydroxybenzoic acid
Synonyms
pyrogallol-5-carboxylic acid
Database Links
CAS Registry No. 149-91-7 (source: Scifinder)
ChEBI CHEBI:30778
ChEMBL Ligand CHEMBL288114
PubChem CID 370
RCSB PDB Ligand GDE
Search Google for chemical match using the InChIKey LNTHITQWFMADLM-UHFFFAOYSA-N
Search Google for chemicals with the same backbone LNTHITQWFMADLM
Search UniChem for chemical match using the InChIKey LNTHITQWFMADLM-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone LNTHITQWFMADLM
Wikipedia Gallic_acid