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: | 36 | |
|---|---|---|
| Name: | N-{5,7-dimethoxy-1H,2H-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylidene}-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Pyroxsulam | |
| Labels: | ||
| CAS: | 422556-08-9 | |
| InChi Code: | InChI=1S/C14H13F3N6O5S/c1-26-8-6-9(27-2)23-13(19-8)20-12(21-23)22-29(24,25)10-7(14(15,16)17)4-5-18-11(10)28-3/h4-6H,1-3H3,(H,21,22) |
Properties
M21.pEC50: 72-h Algal toxicity as log(1/EC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 6.51 |
experimental value |
| 5.8128 |
Tab2.Model_21: (B)TAZ P. subcapitata EC50 (Training set) |
M22.pEC50: Daphnia toxicity as log(1/EC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 3.64 |
experimental value |
| 3.4026 |
Tab2.Model_22: (B)TAZ D.magna EC50 (Training set) |