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:	38
	Name:	2-(2,2-difluoroethoxy)-N-{5-hydroxy-8-methoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl}-6-(trifluoromethyl)benzene-1-sulfonamide
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-(2,2-difluoroethoxy)-N-(5-hydroxy-8-methoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide
	Labels:
	CAS:
	InChi Code:	InChI=1S/C15H12F5N5O5S/c1-29-9-5-21-14(26)25-12(9)22-13(23-25)24-31(27,28)11-7(15(18,19)20)3-2-4-8(11)30-6-10(16)17/h2-5,10H,6H2,1H3,(H,21,26)(H,23,24)

Properties

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

Value	Source or prediction
3.67	experimental value
3.9602	Tab2.Model_22: (B)TAZ D.magna EC50 (Training set)