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: | 46 | |
|---|---|---|
| Name: | N-(2,6-difluorophenyl)-8-fluoro-5-hydroxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: N-(2,6-difluorophenyl)-8-fluoro-5-hydroxy[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide | |
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C11H6F3N5O3S/c12-5-2-1-3-6(13)8(5)18-23(21,22)10-16-9-7(14)4-15-11(20)19(9)17-10/h1-4,18H,(H,15,20) |
Properties
M21.pEC50: 72-h Algal toxicity as log(1/EC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 4.13 |
experimental value |
| 4.6975 |
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 |
|---|---|
| 3.55 |
experimental value |
| 3.1465 |
Tab2.Model_22: (B)TAZ D.magna EC50 (Training set) |