Molecule ID: mol22771
SMILES: O=C(O)c1ccc([N+](=O)[O-])c(O)c1
InChI: InChI=1S/C7H5NO5/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,9H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.50 | AttenGpKa training set | 0 » -1 |
| 7.30 | QSARToolbox | -1 » -2 |