Molecule ID: mol730
SMILES: O=[N+]([O-])c1cc(O)cc([N+](=O)[O-])c1
InChI: InChI=1S/C6H4N2O5/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,9H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.47 | IUPAC digitized pKa | 0 » -1 |
| 6.50 | IUPAC digitized pKa | 0 » -1 |
| 6.53 | IUPAC digitized pKa | 0 » -1 |
| 6.57 | IUPAC digitized pKa | 0 » -1 |
| 6.60 | IUPAC digitized pKa | 0 » -1 |
| 6.64 | IUPAC digitized pKa | 0 » -1 |
| 6.66 | IUPAC digitized pKa | 0 » -1 |
| 6.68 | IUPAC digitized pKa | 0 » -1 |
| 6.69 | IUPAC digitized pKa | 0 » -1 |
| 6.69 | IUPAC digitized pKa | 0 » -1 |
| 6.69 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 6.69 | OCHEM | 0 » -1 |
| 6.69 | Hunt | 0 » -1 |
| 6.69 | OCHEM | 0 » -1 |
| 6.69 | OCHEM | 0 » -1 |
| 6.69 | QSARToolbox | 0 » -1 |
| 6.69 | QSARToolbox | 0 » -1 |
| 6.71 | OCHEM | 0 » -1 |
| 6.73 | OCHEM | 0 » -1 |
| 6.73 | OCHEM | 0 » -1 |
| 6.73 | QSARToolbox | 0 » -1 |
| 6.73 | IUPAC digitized pKa | 0 » -1 |
| 6.78 | IUPAC digitized pKa | 0 » -1 |
| 6.79 | AttenGpKa training set | 0 » -1 |
| 6.83 | IUPAC digitized pKa | 0 » -1 |
| 6.88 | IUPAC digitized pKa | 0 » -1 |
| 6.94 | IUPAC digitized pKa | 0 » -1 |
| 7.31 | IUPAC digitized pKa | 0 » -1 |