Molecule ID: mol729
SMILES: O=[N+]([O-])c1cccc(O)c1[N+](=O)[O-]
InChI: InChI=1S/C6H4N2O5/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3,9H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.96 | IUPAC digitized pKa | 0 » -1 |
| 4.96 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.96 | OCHEM | 0 » -1 |
| 4.96 | OCHEM | 0 » -1 |
| 4.96 | OCHEM | 0 » -1 |
| 4.96 | Hunt | 0 » -1 |
| 4.96 | OCHEM | 0 » -1 |
| 4.96 | OCHEM | 0 » -1 |
| 4.96 | QSARToolbox | 0 » -1 |
| 4.96 | QSARToolbox | 0 » -1 |
| 4.97 | OCHEM | 0 » -1 |
| 4.98 | IUPAC digitized pKa | 0 » -1 |
| 5.23 | AttenGpKa training set | 0 » -1 |