Molecule ID: mol36170
SMILES: O=C(O)CN1CCN(CC(=O)O)CCN(Cc2ccc([N+](=O)[O-])cc2)CCN(CC(=O)O)CC1
InChI: InChI=1S/C21H31N5O8/c27-19(28)14-23-7-5-22(13-17-1-3-18(4-2-17)26(33)34)6-8-24(15-20(29)30)10-12-25(11-9-23)16-21(31)32/h1-4H,5-16H2,(H,27,28)(H,29,30)(H,31,32)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.64 | QSARToolbox | 1 » 0 |