Molecule ID: mol1816
SMILES: O=[N+]([O-])c1ccc(O)cc1[N+](=O)[O-]
InChI: InChI=1S/C6H4N2O5/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3,9H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.42 | IUPAC digitized pKa | 0 » -1 |
| 5.42 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 5.42 | OCHEM | 0 » -1 |
| 5.42 | OCHEM | 0 » -1 |
| 5.42 | OCHEM | 0 » -1 |
| 5.42 | Hunt | 0 » -1 |
| 5.42 | OCHEM | 0 » -1 |
| 5.42 | OCHEM | 0 » -1 |
| 5.42 | OCHEM | 0 » -1 |
| 5.42 | OCHEM | 0 » -1 |
| 5.42 | QSARToolbox | 0 » -1 |
| 5.42 | QSARToolbox | 0 » -1 |
| 5.47 | AttenGpKa training set | 0 » -1 |
| 5.48 | OCHEM | 0 » -1 |
| 6.58 | QSARToolbox | 0 » -1 |