Molecule ID: mol21732
SMILES: O=C(O)c1ccc(F)c(F)c1
InChI: InChI=1S/C7H4F2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.80 | AttenGpKa training set | 0 » -1 |
| 3.83 | QSARToolbox | 0 » -1 |
| 3.83 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |