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:	1300
	Name:	O-4-bromo-2,5-dichlorophenyl O,O-dimethyl phosphorothioate
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Bromophos
	Labels:
	CAS:	2104-96-3
	InChi Code:	InChI=1S/C8H8BrCl2O3PS/c1-12-15(16,13-2)14-8-4-6(10)5(9)3-7(8)11/h3-4H,1-2H3

Properties

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
0.970825461	experimental value
0.9585	Tab2.Model_5: Metab. biotransf. fish (Training set)