Ligand Id: 2418
Ligand name acrolein

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 17.07
Molecular weight 56.03
XLogP 0.29
No. Lipinski's rules broken 0

Molecular properties generated using the CDK


Summary Biological activity References Structure
Classification
Compound class Synthetic organic
IUPAC Name
prop-2-enal
Database Links
BindingDB Ligand 50010912
CAS Registry No. 107-02-8 (source: NCI)
ChEBI CHEBI:15368
ChEMBL Ligand 135895
PubChem CID 7847
Search Google for chemical match using the InChIKey HGINCPLSRVDWNT-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HGINCPLSRVDWNT
Wikipedia Acrolein
ZINC ZINC00897143

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