Molecule ID: mol9796
SMILES: O=C(O)CCN(CCC(=O)O)[N+](=O)[O-]
InChI: InChI=1S/C6H10N2O6/c9-5(10)1-3-7(8(13)14)4-2-6(11)12/h1-4H2,(H,9,10)(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.78 | IUPAC digitized pKa | -1 » -2 |
| 5.02 | IUPAC digitized pKa | 0 » -1 |
| 5.07 | QSARToolbox | 0 » -1 |
| 5.07 | QSARToolbox | 0 » -1 |