Molecule ID: mol9610
SMILES: O=C1C(O)=C(F)C(=O)C(O)=C1F
InChI: InChI=1S/C6H2F2O4/c7-1-3(9)5(11)2(8)6(12)4(1)10/h9,12H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.40 | QSARToolbox | 0 » -1 |
| 1.40 | IUPAC digitized pKa | 0 » -1 |
| 3.30 | IUPAC digitized pKa | -1 » -2 |