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:	773
	Name:	N-{6-chloro-4-[(propan-2-yl)imino]-1,2,3,4-tetrahydro-1,3,5-triazin-2-ylidene}propan-2-amine
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Propazine
	Labels:
	CAS:	139-40-2
	InChi Code:	InChI=1S/C9H16ClN5/c1-5(2)11-8-13-7(10)14-9(15-8)12-6(3)4/h5-6H,1-4H3,(H2,11,12,13,14,15)

Properties

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

Value	Source or prediction
2.3	experimental value
2.5491	Tab2.Model_2: logKoc (Training set)