Molecule ID: mol9818
SMILES: CCCCCC([N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C6H12N2O4/c1-2-3-4-5-6(7(9)10)8(11)12/h6H,2-5H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.07 | IUPAC digitized pKa | 0 » -1 |
| 5.23 | IUPAC digitized pKa | 0 » -1 |
| 5.41 | IUPAC digitized pKa | 0 » -1 |
| 5.41 | AttenGpKa training set | 0 » -1 |
| 5.50 | Datawarrior | 0 » -1 |
| 5.50 | OCHEM | 0 » -1 |
| 5.60 | IUPAC digitized pKa | 0 » -1 |