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: | 38 | |
|---|---|---|
| Name: | 2-(2,2-difluoroethoxy)-N-{5-hydroxy-8-methoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl}-6-(trifluoromethyl)benzene-1-sulfonamide | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-(2,2-difluoroethoxy)-N-(5-hydroxy-8-methoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide | |
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C15H12F5N5O5S/c1-29-9-5-21-14(26)25-12(9)22-13(23-25)24-31(27,28)11-7(15(18,19)20)3-2-4-8(11)30-6-10(16)17/h2-5,10H,6H2,1H3,(H,21,26)(H,23,24) |
Properties
M22.pEC50: Daphnia toxicity as log(1/EC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 3.67 |
experimental value |
| 3.9602 |
Tab2.Model_22: (B)TAZ D.magna EC50 (Training set) |