Molecule ID: mol9017
SMILES: OCC(F)(F)C(F)F
InChI: InChI=1S/C3H4F4O/c4-2(5)3(6,7)1-8/h2,8H,1H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 12.15 | QSARToolbox | 0 » -1 |
| 12.15 | OCHEM | 0 » -1 |
| 12.70 | QSARToolbox | 0 » -1 |
| 12.74 | QSARToolbox | 0 » -1 |
| 12.74 | IUPAC digitized pKa | 0 » -1 |
| 12.74 | OCHEM | 0 » -1 |
| 12.74 | OCHEM | 0 » -1 |
| 12.74 | OCHEM | 0 » -1 |
| 12.74 | AttenGpKa training set | 0 » -1 |