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:	151
	Name:	O-2-(diethylamino)-6-methylpyrimidin-4-yl O,O-dimethyl phosphorothioate
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Pirimiphos-methyl
	Labels:
	CAS:	29232-93-7
	InChi Code:	InChI=1S/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3

Properties

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

Value	Source or prediction
3	experimental value
3.242	Tab2.Model_2: logKoc (Training set)

M23.pLC50: 96-h Rainbow trout toxicity as log(1/LC50) [-log(mol/L)]

Value	Source or prediction
5.88	experimental value
5.3411	Tab2.Model_23: (B)TAZ O. mykiss LC50 (Training set)