Molecule ID: mol9685
SMILES: OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CO
InChI: InChI=1S/C6H6F8O2/c7-3(8,1-15)5(11,12)6(13,14)4(9,10)2-16/h15-16H,1-2H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 12.10 | AttenGpKa training set | 0 » -1 |
| 12.10 | IUPAC digitized pKa | -1 » -2 |
| 12.10 | QSARToolbox | 0 » -1 |
| 12.10 | QSARToolbox | 0 » -1 |
| 12.80 | IUPAC digitized pKa | 0 » -1 |
| 12.80 | AttenGpKa training set | 0 » -1 |