chlorobenzylidene malononitrile

Ligand id: 4158

Name: chlorobenzylidene malononitrile

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 47.58
Molecular weight 188.01
XLogP 2.69
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. BrĂ´ne B, Peeters PJ, Marrannes R, Mercken M, Nuydens R, Meert T, Gijsen HJ. (2008)
Tear gasses CN, CR, and CS are potent activators of the human TRPA1 receptor.
Toxicol. Appl. Pharmacol., 231 (2): 150-6. [PMID:18501939]