Molecule ID: mol9175
SMILES: N#CCCC([N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C4H5N3O4/c5-3-1-2-4(6(8)9)7(10)11/h4H,1-2H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.50 | IUPAC digitized pKa | 0 » -1 |
| 3.45 | IUPAC digitized pKa | 0 » -1 |
| 3.45 | Datawarrior | 0 » -1 |
| 3.45 | OCHEM | 0 » -1 |
| 3.45 | AttenGpKa training set | 0 » -1 |