Molecule ID: mol13277
SMILES: O=S(=O)(Nc1ccccc1)C(F)(F)F
InChI: InChI=1S/C7H6F3NO2S/c8-7(9,10)14(12,13)11-6-4-2-1-3-5-6/h1-5,11H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.45 | QSARToolbox | 0 » -1 |
| 4.45 | QSARToolbox | 0 » -1 |
| 4.45 | AttenGpKa training set | 0 » -1 |
| 4.85 | OCHEM | 0 » -1 |
| 4.85 | Datawarrior | 0 » -1 |
| 5.50 | OCHEM | 0 » -1 |