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: | 86 | |
|---|---|---|
| Name: | N'-(4,6-dimethoxypyrimidin-2-yl)-N-{[3-(ethanesulfonyl)pyridin-2-yl]sulfonyl}carbamimidic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Rimsulfuron | |
| Labels: | ||
| CAS: | 122931-48-0 | |
| InChi Code: | InChI=1S/C14H17N5O7S2/c1-4-27(21,22)9-6-5-7-15-12(9)28(23,24)19-14(20)18-13-16-10(25-2)8-11(17-13)26-3/h5-8H,4H2,1-3H3,(H2,16,17,18,19,20) |
Properties
M22.pEC50: Daphnia toxicity as log(1/EC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 3.08 |
experimental value |
| 3.2474 |
Tab2.Model_22: (B)TAZ D.magna EC50 (Training set) |