Molecule ID: mol9040
SMILES: O=[N+]([O-])CCC([N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C3H5N3O6/c7-4(8)2-1-3(5(9)10)6(11)12/h3H,1-2H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.24 | IUPAC digitized pKa | 0 » -1 |
| 3.24 | AttenGpKa training set | 0 » -1 |
| 3.37 | IUPAC digitized pKa | 0 » -1 |