Molecule ID: mol9421
SMILES: COC(=O)CCC([N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C5H8N2O6/c1-13-5(8)3-2-4(6(9)10)7(11)12/h4H,2-3H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.34 | IUPAC digitized pKa | 0 » -1 |
| 4.34 | AttenGpKa training set | 0 » -1 |
| 4.43 | IUPAC digitized pKa | 0 » -1 |