Molecule ID: mol9205
SMILES: CC(CC([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C4H6N4O8/c1-4(7(13)14,8(15)16)2-3(5(9)10)6(11)12/h3H,2H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.36 | AttenGpKa training set | 0 » -1 |
| 1.37 | IUPAC digitized pKa | 0 » -1 |