Molecule ID: mol9203
SMILES: COC(=O)CC([N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C4H6N2O6/c1-12-4(7)2-3(5(8)9)6(10)11/h3H,2H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.08 | IUPAC digitized pKa | 0 » -1 |
| 3.08 | IUPAC digitized pKa | 0 » -1 |
| 3.08 | AttenGpKa training set | 0 » -1 |