cinnamic acid   Click here for help

GtoPdb Ligand ID: 3203

PDB Ligand
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 37.3
Molecular weight 148.05
XLogP 1.91
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)C=Cc1ccccc1
Isomeric SMILES OC(=O)/C=C/c1ccccc1
InChI InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+
InChI Key WBYWAXJHAXSJNI-VOTSOKGWSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-phenylprop-2-enoic acid
Database Links Click here for help
CAS Registry No. 621-82-9 (source: Scifinder)
ChEBI CHEBI:27386
ChEMBL Ligand CHEMBL27246
GtoPdb PubChem SID 135650101
PubChem CID 444539
RCSB PDB Ligand TCA
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Wikipedia Cinnamic_acid