Molecule ID: mol17432
SMILES: O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CN(C(=O)c2ccc(OCCN3CCCCC3)cc2)C/C1=C\c1ccc([N+](=O)[O-])cc1
InChI: InChI=1S/C33H32N4O7/c38-32-27(20-24-4-10-29(11-5-24)36(40)41)22-35(23-28(32)21-25-6-12-30(13-7-25)37(42)43)33(39)26-8-14-31(15-9-26)44-19-18-34-16-2-1-3-17-34/h4-15,20-21H,1-3,16-19,22-23H2/b27-20+,28-21+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 11.12 | Baltruschat ChEMBL | 1 » 0 |