Molecule ID: mol9449
SMILES: CC(C)CC([N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C5H10N2O4/c1-4(2)3-5(6(8)9)7(10)11/h4-5H,3H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.36 | AttenGpKa training set | 0 » -1 |
| 5.40 | IUPAC digitized pKa | 0 » -1 |
| 5.40 | IUPAC digitized pKa | 0 » -1 |
| 5.40 | Datawarrior | 0 » -1 |
| 5.40 | OCHEM | 0 » -1 |