Molecule ID: mol9201
SMILES: O=C(O)CN(CC(=O)O)[N+](=O)[O-]
InChI: InChI=1S/C4H6N2O6/c7-3(8)1-5(6(11)12)2-4(9)10/h1-2H2,(H,7,8)(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.21 | IUPAC digitized pKa | 0 » -1 |
| 2.21 | AttenGpKa training set | 0 » -1 |
| 2.21 | QSARToolbox | 0 » -1 |
| 3.33 | QSARToolbox | -1 » -2 |
| 3.33 | IUPAC digitized pKa | -1 » -2 |
| 3.33 | AttenGpKa training set | -1 » -2 |