Molecule ID: mol9177
SMILES: O=C(O)C(O)CC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C4H5N3O9/c8-2(3(9)10)1-4(5(11)12,6(13)14)7(15)16/h2,8H,1H2,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.05 | IUPAC digitized pKa | 0 » -1 |
| 3.05 | OCHEM | 0 » -1 |
| 3.50 | QSARToolbox | 0 » -1 |
| 3.50 | QSARToolbox | 0 » -1 |