Molecule ID: mol36113
SMILES: O=C(O)CCN(CCCCCCN(CCC(=O)O)[N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C12H22N4O8/c17-11(18)5-9-13(15(21)22)7-3-1-2-4-8-14(16(23)24)10-6-12(19)20/h1-10H2,(H,17,18)(H,19,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.72 | QSARToolbox | 0 » -1 |