Molecule ID: mol29825
SMILES: CC(=O)Nc1cc(NS(=O)(=O)C(F)(F)F)c(C)cc1C
InChI: InChI=1S/C11H13F3N2O3S/c1-6-4-7(2)10(5-9(6)15-8(3)17)16-20(18,19)11(12,13)14/h4-5,16H,1-3H3,(H,15,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.60 | QSARToolbox | 0 » -1 |
| 4.70 | AttenGpKa training set | 0 » -1 |
| 4.79 | QSARToolbox | 0 » -1 |