Molecule ID: mol31186
SMILES: CCSC(O)(O)C(F)(F)F
InChI: InChI=1S/C4H7F3O2S/c1-2-10-4(8,9)3(5,6)7/h8-9H,2H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.75 | AttenGpKa training set | 0 » -1 |
| 4.87 | AttenGpKa training set | 0 » -1 |
| 8.69 | QSARToolbox | -1 » -2 |
| 8.69 | QSARToolbox | -1 » -2 |
| 8.69 | AttenGpKa training set | -1 » -2 |