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: | 80 | |
|---|---|---|
| Name: | 2-({[(4,6-dimethoxypyrimidin-2-yl)-C-hydroxycarbonimidoyl]amino}sulfonyl)-N,N-dimethylpyridine-3-carboxamide | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Nicosulfuron | |
| Labels: | ||
| CAS: | 111991-09-4 | |
| InChi Code: | InChI=1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-8H,1-4H3,(H2,17,18,19,20,23) |
Properties
M22.pEC50: Daphnia toxicity as log(1/EC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 3.66 |
experimental value |
| 3.5401 |
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 |
|---|---|
| 3.8 |
experimental value |
| 3.6171 |
Tab2.Model_23: (B)TAZ O. mykiss LC50 (Training set) |