Ligand id: 2418

Name: acrolein

Structure and Physico-chemical Properties

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

1. Bautista DM, Jordt SE, Nikai T, Tsuruda PR, Read AJ, Poblete J, Yamoah EN, Basbaum AI, Julius D. (2006)
TRPA1 mediates the inflammatory actions of environmental irritants and proalgesic agents.
Cell, 124 (6): 1269-82. [PMID:16564016]