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:	626
	Name:	2-chloro-N-(2-ethyl-6-methylphenyl)-N-[(2S)-1-methoxypropan-2-yl]acetamide
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Metolachlor
	Labels:
	CAS:	51218-45-2
	InChi Code:	InChI=1S/C15H22ClNO2/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4/h6-8,12H,5,9-10H2,1-4H3/t12-/m0/s1

Properties

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

Value	Source or prediction
2.46	experimental value
2.9627	Tab2.Model_2: logKoc (Training set)

M3.GHLI: Global half-life index i

Value	Source or prediction
1.02729	experimental value
-0.19	Tab2.Model_3: Global half-life index (Training set)