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:	49
	Name:	3-methoxy-N-[4-(methylsulfanyl)-6-[(propan-2-yl)imino]-1,2,5,6-tetrahydro-1,3,5-triazin-2-ylidene]propan-1-amine
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Methoprotryne
	Labels:
	CAS:	841-06-5
	InChi Code:	InChI=1S/C11H21N5OS/c1-8(2)13-10-14-9(12-6-5-7-17-3)15-11(16-10)18-4/h8H,5-7H2,1-4H3,(H2,12,13,14,15,16)

Properties

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

Value	Source or prediction
3.81	experimental value
3.6325	Tab2.Model_22: (B)TAZ D.magna EC50 (Training set)