Molecule ID: mol9050
SMILES: CCC([N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C3H6N2O4/c1-2-3(4(6)7)5(8)9/h3H,2H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.22 | IUPAC digitized pKa | 0 » -1 |
| 5.36 | IUPAC digitized pKa | 0 » -1 |
| 5.52 | IUPAC digitized pKa | 0 » -1 |
| 5.53 | IUPAC digitized pKa | 0 » -1 |
| 5.53 | AttenGpKa training set | 0 » -1 |
| 5.61 | IUPAC digitized pKa | 0 » -1 |
| 5.65 | IUPAC digitized pKa | 0 » -1 |
| 5.67 | Datawarrior | 0 » -1 |
| 5.67 | OCHEM | 0 » -1 |
| 5.70 | IUPAC digitized pKa | 0 » -1 |