Molecule ID: mol13278
SMILES: NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChI: InChI=1S/C7H6F3NO2S/c8-7(9,10)5-2-1-3-6(4-5)14(11,12)13/h1-4H,(H2,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.98 | OCHEM | 0 » -1 |
| 8.98 | QSARToolbox | 0 » -1 |
| 8.98 | Datawarrior | 0 » -1 |
| 8.98 | AttenGpKa training set | 0 » -1 |