Molecule ID: mol8902
SMILES: O=[N+]([O-])C[N+](=O)[O-]
InChI: InChI=1S/CH2N2O4/c4-2(5)1-3(6)7/h1H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.43 | IUPAC digitized pKa | 0 » -1 |
| 3.51 | IUPAC digitized pKa | 0 » -1 |
| 3.57 | QSARToolbox | 0 » -1 |
| 3.57 | QSARToolbox | 0 » -1 |
| 3.57 | IUPAC digitized pKa | 0 » -1 |
| 3.57 | AttenGpKa training set | 0 » -1 |
| 3.60 | QSARToolbox | 0 » -1 |
| 3.60 | IUPAC digitized pKa | 0 » -1 |
| 3.63 | IUPAC digitized pKa | 0 » -1 |
| 3.63 | QSARToolbox | 0 » -1 |
| 3.72 | IUPAC digitized pKa | 0 » -1 |