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:	857
	Name:	N-[6-(ethylimino)-4-methoxy-1,2,5,6-tetrahydro-1,3,5-triazin-2-ylidene]ethan-1-amine
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Simatone
	Labels:
	CAS:	673-04-1
	InChi Code:	InChI=1S/C8H15N5O/c1-4-9-6-11-7(10-5-2)13-8(12-6)14-3/h4-5H2,1-3H3,(H2,9,10,11,12,13)

Properties

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

Value	Source or prediction
2.34	experimental value
2.1405	Tab2.Model_2: logKoc (Training set)