Molecule ID: mol17428
SMILES: O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CN(C(=O)c2ccc(OCCN3CCOCC3)cc2)C/C1=C\c1ccc([N+](=O)[O-])cc1
InChI: InChI=1S/C32H30N4O8/c37-31-26(19-23-1-7-28(8-2-23)35(39)40)21-34(22-27(31)20-24-3-9-29(10-4-24)36(41)42)32(38)25-5-11-30(12-6-25)44-18-15-33-13-16-43-17-14-33/h1-12,19-20H,13-18,21-22H2/b26-19+,27-20+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.50 | Baltruschat ChEMBL | 1 » 0 |