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:	60
	Name:	2-{[4-chloro-6-(ethylimino)-1,6-dihydro-1,3,5-triazin-2-yl]amino}-2-methylpropanenitrile
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Cyanazine
	Labels:
	CAS:	21725-46-2
	InChi Code:	InChI=1S/C9H13ClN6/c1-4-12-7-13-6(10)14-8(15-7)16-9(2,3)5-11/h4H2,1-3H3,(H2,12,13,14,15,16)

Properties

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

Value	Source or prediction
2.28	experimental value
2.0167	Tab2.Model_2: logKoc (Training set)

M22.pEC50: Daphnia toxicity as log(1/EC50) [-log(mol/L)]

Value	Source or prediction
3.69	experimental value
3.6094	Tab2.Model_22: (B)TAZ D.magna EC50 (Training set)