Molecule ID: mol9749
SMILES: CC(=O)OC(CC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])C(=O)O
InChI: InChI=1S/C6H7N3O10/c1-3(10)19-4(5(11)12)2-6(7(13)14,8(15)16)9(17)18/h4H,2H2,1H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.02 | IUPAC digitized pKa | 0 » -1 |
| 2.02 | OCHEM | 0 » -1 |
| 2.20 | QSARToolbox | 0 » -1 |
| 2.20 | QSARToolbox | 0 » -1 |