methyl isocyanate

Ligand id: 6290

Name: methyl isocyanate

Abbreviated name: MIC

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 0
Topological polar surface area 29.43
Molecular weight 57.02
XLogP 1.72
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

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]