Molecule ID: mol9053
SMILES: O=[N+]([O-])C(CCO)[N+](=O)[O-]
InChI: InChI=1S/C3H6N2O5/c6-2-1-3(4(7)8)5(9)10/h3,6H,1-2H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.24 | IUPAC digitized pKa | 0 » -1 |
| 4.37 | IUPAC digitized pKa | 0 » -1 |
| 4.52 | IUPAC digitized pKa | 0 » -1 |
| 4.52 | AttenGpKa training set | 0 » -1 |
| 4.68 | IUPAC digitized pKa | 0 » -1 |
| 4.73 | IUPAC digitized pKa | 0 » -1 |
| 4.73 | QSARToolbox | 0 » -1 |