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:	1064
	Name:	4-bromo-2-chloro-1-(ethoxy-propylsulfanylphosphoryl)oxybenzene
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Profenofos
	Labels:
	CAS:	41198-08-7
	InChi Code:	InChI=1S/C11H15BrClO3PS/c1-3-7-18-17(14,15-4-2)16-11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3/t17-/m0/s1

Properties

M2.logKoc: Soil sorption coefficient as log(Koc) i

Value	Source or prediction
3.03	experimental value
3.3103	Tab2.Model_2: logKoc (Training set)