Molecule ID: mol9176
SMILES: O=C(O)CCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C4H5N3O8/c8-3(9)1-2-4(5(10)11,6(12)13)7(14)15/h1-2H2,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.64 | IUPAC digitized pKa | 0 » -1 |
| 3.64 | OCHEM | 0 » -1 |
| 3.64 | QSARToolbox | 0 » -1 |
| 3.64 | QSARToolbox | 0 » -1 |