Molecule ID: mol10027
SMILES: O=C(O)c1c(F)c(F)c(O)c(F)c1F
InChI: InChI=1S/C7H2F4O3/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h12H,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.27 | QSARToolbox | 0 » -1 |
| 2.27 | QSARToolbox | 0 » -1 |
| 2.27 | IUPAC digitized pKa | 0 » -1 |
| 2.27 | OCHEM | 0 » -1 |
| 5.17 | IUPAC digitized pKa | -1 » -2 |
| 5.17 | QSARToolbox | -1 » -2 |