Molecule ID: mol14331
SMILES: O=S(=O)(Nc1ccc(Cl)cc1)C(F)(F)F
InChI: InChI=1S/C7H5ClF3NO2S/c8-5-1-3-6(4-2-5)12-15(13,14)7(9,10)11/h1-4,12H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.90 | Datawarrior | 0 » -1 |
| 3.90 | AttenGpKa training set | 0 » -1 |
| 3.90 | QSARToolbox | 0 » -1 |
| 3.90 | QSARToolbox | 0 » -1 |
| 3.90 | OCHEM | 0 » -1 |
| 4.60 | OCHEM | 0 » -1 |