Molecule ID: mol428
SMILES: CC(C)(O)C(F)(F)F
InChI: InChI=1S/C4H7F3O/c1-3(2,8)4(5,6)7/h8H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 11.60 | OCHEM | 0 » -1 |
| 11.60 | Hunt | 0 » -1 |
| 11.60 | AttenGpKa training set | 0 » -1 |
| 11.60 | QSARToolbox | 0 » -1 |
| 11.60 | QSARToolbox | 0 » -1 |