Molecule ID: mol9450
SMILES: CCCCC([N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C5H10N2O4/c1-2-3-4-5(6(8)9)7(10)11/h5H,2-4H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.04 | IUPAC digitized pKa | 0 » -1 |
| 5.20 | IUPAC digitized pKa | 0 » -1 |
| 5.34 | OCHEM | 0 » -1 |
| 5.34 | OCHEM | 0 » -1 |
| 5.34 | AttenGpKa training set | 0 » -1 |
| 5.39 | IUPAC digitized pKa | 0 » -1 |
| 5.45 | OCHEM | 0 » -1 |
| 5.45 | IUPAC digitized pKa | 0 » -1 |
| 5.45 | Datawarrior | 0 » -1 |
| 5.54 | IUPAC digitized pKa | 0 » -1 |