Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

Compound

	ID:	1120
	Name:	O-4-chloro-2-cyanophenyl O,O-dimethyl phosphorothioate
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: METHYL ISOCYANOTHION
	Labels:
	CAS:	18936-52-2
	InChi Code:	InChI=1S/C9H9ClNO3PS/c1-12-15(16,13-2)14-9-4-3-8(10)5-7(9)6-11/h3-5H,1-2H3

Properties

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
0.650825461	experimental value
0.1839	Tab2.Model_5: Metab. biotransf. fish (Training set)