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: | 93 | |
|---|---|---|
| Name: | N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboximidic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Flonicamid | |
| Labels: | ||
| CAS: | 158062-67-0 | |
| InChi Code: | InChI=1S/C9H6F3N3O/c10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13/h1,3,5H,4H2,(H,15,16) |
Properties
M21.pEC50: 72-h Algal toxicity as log(1/EC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 3.36 |
experimental value |
| 3.5704 |
Tab2.Model_21: (B)TAZ P. subcapitata EC50 (Training set) |
M22.pEC50: Daphnia toxicity as log(1/EC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 3.36 |
experimental value |
| 3.5004 |
Tab2.Model_22: (B)TAZ D.magna EC50 (Training set) |
M23.pLC50: 96-h Rainbow trout toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 3.36 |
experimental value |
| 3.4287 |
Tab2.Model_23: (B)TAZ O. mykiss LC50 (Training set) |