Ligand id: 6472

Name: dibenzoxazepine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 0
Topological polar surface area 21.59
Molecular weight 195.07
XLogP 4.46
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]