Molecule ID: mol10025
SMILES: O=C(O)c1c(F)c(F)c(F)c(F)c1F
InChI: InChI=1S/C7HF5O2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.52 | AttenGpKa training set | 0 » -1 |
| 1.75 | IUPAC digitized pKa | 0 » -1 |
| 1.75 | OCHEM | 0 » -1 |
| 1.75 | QSARToolbox | 0 » -1 |
| 1.75 | QSARToolbox | 0 » -1 |
| 1.75 | QSARToolbox | 0 » -1 |
| 2.72 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |