Molecule ID: mol31200
SMILES: OC(O)(C(F)(F)F)C(F)(F)F
InChI: InChI=1S/C3H2F6O2/c4-2(5,6)1(10,11)3(7,8)9/h10-11H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.61 | AttenGpKa training set | 0 » -1 |
| 6.97 | QSARToolbox | 0 » -1 |
| 6.97 | QSARToolbox | 0 » -1 |
| 8.80 | OCHEM | -1 » -2 |
| 8.80 | OCHEM | -1 » -2 |
| 13.53 | AttenGpKa training set | -1 » -2 |