Molecule ID: mol22767
SMILES: O=C(O)c1cc(O)cc(C(=O)O)c1
InChI: InChI=1S/C8H6O5/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.52 | AttenGpKa training set | -1 » -2 |
| 3.56 | QSARToolbox | -1 » -2 |
| 4.62 | AttenGpKa training set | 0 » -1 |
| 10.39 | AttenGpKa training set | -2 » -3 |