Molecule ID: mol427
SMILES: CC(O)(C(F)(F)F)C(F)(F)F
InChI: InChI=1S/C4H4F6O/c1-2(11,3(5,6)7)4(8,9)10/h11H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.55 | AttenGpKa training set | 0 » -1 |
| 9.60 | OCHEM | 0 » -1 |
| 9.60 | Hunt | 0 » -1 |
| 9.60 | OCHEM | 0 » -1 |