Molecule ID: mol17430
SMILES: Cc1ccc(/C=C2\CN(C(=O)c3ccc(OCCN4CCOCC4)cc3)C/C(=C\c3ccc(C)cc3)C2=O)cc1
InChI: InChI=1S/C34H36N2O4/c1-25-3-7-27(8-4-25)21-30-23-36(24-31(33(30)37)22-28-9-5-26(2)6-10-28)34(38)29-11-13-32(14-12-29)40-20-17-35-15-18-39-19-16-35/h3-14,21-22H,15-20,23-24H2,1-2H3/b30-21+,31-22+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.50 | Baltruschat ChEMBL | 1 » 0 |