1,2,3-benzenetricarboxylic acid

Ligand id: 4701

Name: 1,2,3-benzenetricarboxylic acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 111.9
Molecular weight 210.02
XLogP 0.72
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
benzene-1,2,3-tricarboxylic acid
Synonyms
1,2,3-benzenetricarboxylate
Database Links
CAS Registry No. 569-51-7 (source: Scifinder)
ChEMBL Ligand CHEMBL1161013
GtoPdb PubChem SID 178101413
PubChem CID 11288
RCSB PDB Ligand 3GQ
Search Google for chemical match using the InChIKey UJMDYLWCYJJYMO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone UJMDYLWCYJJYMO
Search UniChem for chemical match using the InChIKey UJMDYLWCYJJYMO-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone UJMDYLWCYJJYMO