Molecule ID: mol22773
SMILES: O=C(O)c1cc(F)cc(C(=O)O)c1
InChI: InChI=1S/C8H5FO4/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3H,(H,10,11)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.24 | AttenGpKa training set | 0 » -1 |
| 4.39 | AttenGpKa training set | -1 » -2 |