Molecule ID: mol9758
SMILES: CC(=O)OC(C(=O)O)C(C)([N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C6H8N2O8/c1-3(9)16-4(5(10)11)6(2,7(12)13)8(14)15/h4H,1-2H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.85 | IUPAC digitized pKa | 0 » -1 |
| 1.85 | OCHEM | 0 » -1 |
| 1.85 | QSARToolbox | 0 » -1 |
| 1.85 | QSARToolbox | 0 » -1 |