Molecule ID: mol14874
SMILES: CS(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)F)cc1
InChI: InChI=1S/C8H8F3NO4S2/c1-17(13,14)7-4-2-6(3-5-7)12-18(15,16)8(9,10)11/h2-5,12H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.84 | OCHEM | 0 » -1 |
| 2.84 | QSARToolbox | 0 » -1 |
| 2.84 | QSARToolbox | 0 » -1 |
| 2.84 | Datawarrior | 0 » -1 |
| 2.84 | AttenGpKa training set | 0 » -1 |