Molecule ID: mol27924
SMILES: O=[N+]([O-])NCCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C3H5N5O8/c9-5(10)3(6(11)12,7(13)14)1-2-4-8(15)16/h4H,1-2H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.97 | AttenGpKa training set | 0 » -1 |