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:	963
	Name:	N-[4-(ethylsulfanyl)-6-[(propan-2-yl)imino]-1,2,5,6-tetrahydro-1,3,5-triazin-2-ylidene]propan-2-amine
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Dipropetryn
	Labels:
	CAS:	4147-51-7
	InChi Code:	InChI=1S/C11H21N5S/c1-6-17-11-15-9(12-7(2)3)14-10(16-11)13-8(4)5/h7-8H,6H2,1-5H3,(H2,12,13,14,15,16)

Properties

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

Value	Source or prediction
3.07	experimental value
2.9795	Tab2.Model_2: logKoc (Training set)