Molecule ID: mol15194
SMILES: O=S(=O)(Nc1cccc(F)c1)c1ccccc1
InChI: InChI=1S/C12H10FNO2S/c13-10-5-4-6-11(9-10)14-17(15,16)12-7-2-1-3-8-12/h1-9,14H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.50 | QSARToolbox | 0 » -1 |
| 7.50 | QSARToolbox | 0 » -1 |
| 7.54 | Datawarrior | 0 » -1 |
| 7.54 | OCHEM | 0 » -1 |
| 7.58 | QSARToolbox | 0 » -1 |
| 7.58 | AttenGpKa training set | 0 » -1 |