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:	42
	Name:	(2R)-2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-3-[(3R)-3H-1,2,4-triazol-3-yl]propan-2-ol
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-3-(3H-1,2,4-triazol-3-yl)propan-2-ol
	Labels:
	CAS:
	InChi Code:	InChI=1S/C14H15Cl2N3O/c15-11-4-2-1-3-10(11)7-14(20,13(16)5-6-13)8-12-17-9-18-19-12/h1-4,9,12,20H,5-8H2/t12-,14-/m1/s1

Properties

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

Value	Source or prediction
4.49	experimental value
4.3889	Tab2.Model_22: (B)TAZ D.magna EC50 (Training set)