Molecule ID: mol34441
SMILES: O=C(O)CN(CCCN(CC(=O)O)[N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C7H12N4O8/c12-6(13)4-8(10(16)17)2-1-3-9(11(18)19)5-7(14)15/h1-5H2,(H,12,13)(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.51 | QSARToolbox | 0 » -1 |
| 4.51 | QSARToolbox | 0 » -1 |