isoferulic acid

Ligand id: 7980

Name: isoferulic acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 66.76
Molecular weight 194.06
XLogP 1.23
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid
Database Links
CAS Registry No. 537-73-5 (source: Scifinder)
ChEBI CHEBI:27794
ChEMBL Ligand CHEMBL233295
PubChem CID 736186
RCSB PDB Ligand 4FE
Search Google for chemical match using the InChIKey QURCVMIEKCOAJU-HWKANZROSA-N
Search Google for chemicals with the same backbone QURCVMIEKCOAJU
Search UniChem for chemical match using the InChIKey QURCVMIEKCOAJU-HWKANZROSA-N
Search UniChem for chemicals with the same backbone QURCVMIEKCOAJU