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: | 158 | |
|---|---|---|
| Name: | N-(6-methoxy-4-methyl-1,2-dihydro-1,3,5-triazin-2-ylidene)-N'-[2-(3,3,3-trifluoropropyl)benzenesulfonyl]carbamimidic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Prosulfuron | |
| Labels: | ||
| CAS: | 94125-34-5 | |
| InChi Code: | InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24) |
Properties
M23.pLC50: 96-h Rainbow trout toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 3.42 |
experimental value |
| 4.0118 |
Tab2.Model_23: (B)TAZ O. mykiss LC50 (Training set) |