Molecule ID: mol22759
SMILES: Nc1ccc(C(=O)O)c(C(=O)O)c1
InChI: InChI=1S/C8H7NO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.30 | QSARToolbox | 0 » -1 |
| 3.30 | AttenGpKa training set | 0 » -1 |
| 5.90 | AttenGpKa training set | -1 » -2 |
| 5.90 | QSARToolbox | -1 » -2 |