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) |