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: | 73 | |
|---|---|---|
| Name: | N'-[2-(2-chloroethoxy)benzenesulfonyl]-N-(6-methoxy-4-methyl-1,2-dihydro-1,3,5-triazin-2-ylidene)carbamimidic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Triasulfuron | |
| Labels: | ||
| CAS: | 82097-50-5 | |
| InChi Code: | InChI=1S/C14H16ClN5O5S/c1-9-16-12(19-14(17-9)24-2)18-13(21)20-26(22,23)11-6-4-3-5-10(11)25-8-7-15/h3-6H,7-8H2,1-2H3,(H2,16,17,18,19,20,21) |
Properties
M22.pEC50: Daphnia toxicity as log(1/EC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 3.6 |
experimental value |
| 3.8713 |
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 |
|---|---|
| 3.6 |
experimental value |
| 4.0361 |
Tab2.Model_23: (B)TAZ O. mykiss LC50 (Training set) |