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: | 77 | |
|---|---|---|
| Name: | N'-(4,6-dimethoxypyrimidin-2-yl)-N-{[3-(trifluoromethyl)pyridin-2-yl]sulfonyl}carbamimidic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Flazasulfuron | |
| Labels: | ||
| CAS: | 104040-78-0 | |
| InChi Code: | InChI=1S/C13H12F3N5O5S/c1-25-8-6-9(26-2)19-11(18-8)20-12(22)21-27(23,24)10-7(13(14,15)16)4-3-5-17-10/h3-6H,1-2H3,(H2,18,19,20,21,22) |
Properties
M22.pEC50: Daphnia toxicity as log(1/EC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 4.21 |
experimental value |
| 3.663 |
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 |
|---|---|
| 4.27 |
experimental value |
| 3.6411 |
Tab2.Model_23: (B)TAZ O. mykiss LC50 (Training set) |