Molecule ID: mol666
SMILES: OC(C(F)(F)F)(C(F)(F)F)C(F)(F)Cl
InChI: InChI=1S/C4HClF8O/c5-2(6,7)1(14,3(8,9)10)4(11,12)13/h14H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.30 | OCHEM | 0 » -1 |
| 5.30 | Hunt | 0 » -1 |
| 5.30 | OCHEM | 0 » -1 |
| 5.30 | AttenGpKa training set | 0 » -1 |