crotylaldehyde

Ligand id: 6288

Name: crotylaldehyde

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 70.04
XLogP 0.82
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Andrè E, Campi B, Materazzi S, Trevisani M, Amadesi S, Massi D, Creminon C, Vaksman N, Nassini R, Civelli M et al.. (2008)
Cigarette smoke-induced neurogenic inflammation is mediated by alpha,beta-unsaturated aldehydes and the TRPA1 receptor in rodents.
J. Clin. Invest.118 (7): 2574-82. [PMID:18568077]