Molecule ID: mol21741
SMILES: O=C(O)c1ccc(F)cc1F
InChI: InChI=1S/C7H4F2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.29 | QSARToolbox | 0 » -1 |
| 3.29 | AttenGpKa training set | 0 » -1 |
| 3.58 | QSARToolbox | 0 » -1 |
| 3.58 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |