Molecule ID: mol14754
SMILES: O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccccc1
InChI: InChI=1S/C13H10F3NO2S/c14-13(15,16)10-5-4-6-11(9-10)17-20(18,19)12-7-2-1-3-8-12/h1-9,17H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.40 | AttenGpKa training set | 0 » -1 |
| 7.40 | QSARToolbox | 0 » -1 |
| 7.40 | QSARToolbox | 0 » -1 |
| 7.63 | Datawarrior | 0 » -1 |
| 7.63 | OCHEM | 0 » -1 |