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:	862
	Name:	O,O-dimethyl {[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]sulfanyl}phosphonothioate
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Phosmet
	Labels:
	CAS:	732-11-6
	InChi Code:	InChI=1S/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3

Properties

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

Value	Source or prediction
2.85	experimental value
2.5414	Tab2.Model_2: logKoc (Training set)