Molecule ID: mol9191
SMILES: OCC(F)(F)C(F)(F)CO
InChI: InChI=1S/C4H6F4O2/c5-3(6,1-9)4(7,8)2-10/h9-10H,1-2H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 12.10 | IUPAC digitized pKa | 0 » -1 |
| 12.10 | AttenGpKa training set | 0 » -1 |
| 12.10 | QSARToolbox | 0 » -1 |
| 12.10 | QSARToolbox | 0 » -1 |
| 13.70 | IUPAC digitized pKa | -1 » -2 |
| 13.70 | AttenGpKa training set | -1 » -2 |