Molecule ID: mol8901
SMILES: O=[N+]([O-])C([N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/CHN3O6/c5-2(6)1(3(7)8)4(9)10/h1H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.02 | IUPAC digitized pKa | 0 » -1 |
| 0.05 | IUPAC digitized pKa | 0 » -1 |
| 0.06 | IUPAC digitized pKa | 0 » -1 |
| 0.11 | IUPAC digitized pKa | 0 » -1 |
| 0.14 | QSARToolbox | 0 » -1 |
| 0.17 | IUPAC digitized pKa | 0 » -1 |
| 0.17 | AttenGpKa training set | 0 » -1 |
| 0.17 | QSARToolbox | 0 » -1 |
| 0.23 | IUPAC digitized pKa | 0 » -1 |
| 0.60 | QSARToolbox | 0 » -1 |