Molecule ID: mol9632
SMILES: O=[N+]([O-])c1cc(O)c(O)c([N+](=O)[O-])c1
InChI: InChI=1S/C6H4N2O6/c9-5-2-3(7(11)12)1-4(6(5)10)8(13)14/h1-2,9-10H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.32 | QSARToolbox | 0 » -1 |
| 3.32 | IUPAC digitized pKa | 0 » -1 |
| 3.46 | AttenGpKa training set | 0 » -1 |
| 9.85 | AttenGpKa training set | -1 » -2 |
| 9.86 | QSARToolbox | -1 » -2 |
| 9.86 | IUPAC digitized pKa | -1 » -2 |