Molecule ID: mol9194
SMILES: C=CCC([N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C4H6N2O4/c1-2-3-4(5(7)8)6(9)10/h2,4H,1,3H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.69 | IUPAC digitized pKa | 0 » -1 |
| 4.83 | IUPAC digitized pKa | 0 » -1 |
| 4.92 | IUPAC digitized pKa | 0 » -1 |
| 4.99 | IUPAC digitized pKa | 0 » -1 |
| 4.99 | AttenGpKa training set | 0 » -1 |
| 5.15 | IUPAC digitized pKa | 0 » -1 |