cinnamaldehyde

Ligand id: 2423

Name: cinnamaldehyde

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 17.07
Molecular weight 132.06
XLogP 3.99
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(E)-3-phenylprop-2-enal
Synonyms
cinnamic aldehyde
Database Links
BindingDB Ligand 50203065
CAS Registry No. 104-55-2 (source: Scifinder)
ChEMBL Ligand CHEMBL293492
GtoPdb PubChem SID 135650100
PubChem CID 637511
Search Google for chemical match using the InChIKey KJPRLNWUNMBNBZ-QPJJXVBHSA-N
Search Google for chemicals with the same backbone KJPRLNWUNMBNBZ
Search UniChem for chemical match using the InChIKey KJPRLNWUNMBNBZ-QPJJXVBHSA-N
Search UniChem for chemicals with the same backbone KJPRLNWUNMBNBZ
Wikipedia Cinnamaldehyde