Molecule ID: mol14875
SMILES: O=S(=O)(Nc1cccc(C(F)(F)F)c1)C(F)(F)F
InChI: InChI=1S/C8H5F6NO2S/c9-7(10,11)5-2-1-3-6(4-5)15-18(16,17)8(12,13)14/h1-4,15H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.50 | Datawarrior | 0 » -1 |
| 3.50 | OCHEM | 0 » -1 |
| 3.50 | QSARToolbox | 0 » -1 |
| 3.50 | QSARToolbox | 0 » -1 |
| 3.50 | AttenGpKa training set | 0 » -1 |