Molecule ID: mol10492
SMILES: O=C(O)c1ccc([N+](=O)[O-])cc1C(=O)O
InChI: InChI=1S/C8H5NO6/c10-7(11)5-2-1-4(9(14)15)3-6(5)8(12)13/h1-3H,(H,10,11)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.00 | QSARToolbox | 0 » -1 |
| 2.22 | AttenGpKa training set | 0 » -1 |
| 4.12 | QSARToolbox | -1 » -2 |
| 4.12 | QSARToolbox | -1 » -2 |
| 4.12 | QSARToolbox | -1 » -2 |
| 4.12 | IUPAC digitized pKa | -1 » -2 |
| 4.38 | QSARToolbox | -1 » -2 |
| 4.39 | QSARToolbox | -1 » -2 |