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: | 91 | |
|---|---|---|
| Name: | oxetan-3-yl 2-({[(4,6-dimethylpyrimidin-2-yl)-C-hydroxycarbonimidoyl]amino}sulfonyl)benzoate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Oxasulfuron | |
| Labels: | ||
| CAS: | 144651-06-9 | |
| InChi Code: | InChI=1S/C17H18N4O6S/c1-10-7-11(2)19-16(18-10)20-17(23)21-28(24,25)14-6-4-3-5-13(14)15(22)27-12-8-26-9-12/h3-7,12H,8-9H2,1-2H3,(H2,18,19,20,21,23) |
Properties
M22.pEC50: Daphnia toxicity as log(1/EC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 3.66 |
experimental value |
| 4.2128 |
Tab2.Model_22: (B)TAZ D.magna EC50 (Training set) |