Molecule ID: mol10952
SMILES: O=C(O)/C=C/c1ccccc1F
InChI: InChI=1S/C9H7FO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H,(H,11,12)/b6-5+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.08 | QSARToolbox | 0 » -1 |
| 4.18 | AttenGpKa training set | 0 » -1 |
| 4.28 | IUPAC digitized pKa | 0 » -1 |