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:	50
	Name:	N-[6-(ethylimino)-4-(methylsulfanyl)-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: Simetryn
	Labels:
	CAS:	1014-70-6
	InChi Code:	InChI=1S/C8H15N5S/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

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

Value	Source or prediction
3.63	experimental value
3.4772	Tab2.Model_22: (B)TAZ D.magna EC50 (Training set)