Molecule ID: mol23276
SMILES: O=C(O)Cc1ccccc1F
InChI: InChI=1S/C8H7FO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.96 | QSARToolbox | 0 » -1 |
| 3.96 | QSARToolbox | 0 » -1 |
| 4.17 | AttenGpKa training set | 0 » -1 |