Molecule ID: mol9361
SMILES: CC(=O)CC(=O)C(F)(F)F
InChI: InChI=1S/C5H5F3O2/c1-3(9)2-4(10)5(6,7)8/h2H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.09 | Datawarrior | 0 » -1 |
| 6.09 | OCHEM | 0 » -1 |
| 6.30 | IUPAC digitized pKa | 0 » -1 |
| 6.55 | AttenGpKa training set | 0 » -1 |