Molecule ID: mol34442
SMILES: O=C(O)CCN(CN(CCC(=O)O)[N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C7H12N4O8/c12-6(13)1-3-8(10(16)17)5-9(11(18)19)4-2-7(14)15/h1-5H2,(H,12,13)(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.90 | QSARToolbox | 0 » -1 |
| 4.90 | QSARToolbox | 0 » -1 |