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:	1030
	Name:	(2R)-N-[4-(ethylimino)-6-methoxy-1,2,3,4-tetrahydro-1,3,5-triazin-2-ylidene]butan-2-amine
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Secbumeton
	Labels:
	CAS:	26259-45-0
	InChi Code:	InChI=1S/C10H19N5O/c1-5-7(3)12-9-13-8(11-6-2)14-10(15-9)16-4/h7H,5-6H2,1-4H3,(H2,11,12,13,14,15)/t7-/m1/s1

Properties

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

Value	Source or prediction
2.78	experimental value
2.5373	Tab2.Model_2: logKoc (Training set)