Molecule ID: mol15262
SMILES: CC(=O)c1cccc(NS(=O)(=O)C(F)(F)F)c1
InChI: InChI=1S/C9H8F3NO3S/c1-6(14)7-3-2-4-8(5-7)13-17(15,16)9(10,11)12/h2-5,13H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.75 | Datawarrior | 0 » -1 |
| 3.75 | OCHEM | 0 » -1 |
| 3.75 | QSARToolbox | 0 » -1 |
| 3.75 | QSARToolbox | 0 » -1 |
| 3.75 | AttenGpKa training set | 0 » -1 |