Molecule ID: mol2223
SMILES: Nc1ccc(S(=O)(=O)C(F)(F)F)cc1
InChI: InChI=1S/C7H6F3NO2S/c8-7(9,10)14(12,13)6-3-1-5(11)2-4-6/h1-4H,11H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.10 | QSARToolbox | 1 » 0 |
| -0.01 | Hunt | 1 » 0 |
| -0.01 | OCHEM | 1 » 0 |
| -0.01 | AttenGpKa training set | 1 » 0 |