Molecule ID: mol10230
SMILES: O=C(O)CCC(CCC(=O)O)([N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C7H10N2O8/c10-5(11)1-3-7(8(14)15,9(16)17)4-2-6(12)13/h1-4H2,(H,10,11)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.52 | IUPAC digitized pKa | -1 » -2 |
| 4.96 | IUPAC digitized pKa | 0 » -1 |