chloropicrin

Ligand id: 6292

Name: chloropicrin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 0
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 43.14
Molecular weight 162.9
XLogP 1.6
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Bessac BF, Sivula M, von Hehn CA, Caceres AI, Escalera J, Jordt SE. (2009)
Transient receptor potential ankyrin 1 antagonists block the noxious effects of toxic industrial isocyanates and tear gases.
FASEB J.23 (4): 1102-14. [PMID:19036859]