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:	72
	Name:	methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Thiameturon-methyl
	Labels:
	CAS:	79277-27-3
	InChi Code:	InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)

Properties

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

Value	Source or prediction
1.65	experimental value
2.0641	Tab2.Model_2: logKoc (Training set)

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

Value	Source or prediction
2.92	experimental value
2.8163	Tab2.Model_22: (B)TAZ D.magna EC50 (Training set)