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:	167
	Name:	3-bromo-N-[2-chloro-4-methyl-6-(methyl-C-hydroxycarbonimidoyl)phenyl]-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboximidic acid
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Chlorantraniliprole
	Labels:
	CAS:	500008-45-7
	InChi Code:	InChI=1S/C18H14BrCl2N5O2/c1-9-6-10(17(27)22-2)15(12(21)7-9)24-18(28)13-8-14(19)25-26(13)16-11(20)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)

Properties

M21.pEC50: 72-h Algal toxicity as log(1/EC50) [-log(mol/L)]

Value	Source or prediction
5.38	experimental value
6.0844	Tab2.Model_21: (B)TAZ P. subcapitata EC50 (Training set)

M23.pLC50: 96-h Rainbow trout toxicity as log(1/LC50) [-log(mol/L)]

Value	Source or prediction
4.54	experimental value
4.7991	Tab2.Model_23: (B)TAZ O. mykiss LC50 (Training set)