Molecule ID: mol22927
SMILES: O=Cc1cc(C(=O)O)c(O)c([N+](=O)[O-])c1
InChI: InChI=1S/C8H5NO6/c10-3-4-1-5(8(12)13)7(11)6(2-4)9(14)15/h1-3,11H,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.58 | AttenGpKa training set | 0 » -1 |
| 7.91 | QSARToolbox | -1 » -2 |
| 7.91 | QSARToolbox | -1 » -2 |
| 7.91 | AttenGpKa training set | -1 » -2 |