Molecule ID: mol17427
SMILES: Cc1ccc(/C=C2\CN(C(=O)c3ccc(OCCN(C)C)cc3)C/C(=C\c3ccc(C)cc3)C2=O)cc1
InChI: InChI=1S/C32H34N2O3/c1-23-5-9-25(10-6-23)19-28-21-34(22-29(31(28)35)20-26-11-7-24(2)8-12-26)32(36)27-13-15-30(16-14-27)37-18-17-33(3)4/h5-16,19-20H,17-18,21-22H2,1-4H3/b28-19+,29-20+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.73 | Baltruschat ChEMBL | 1 » 0 |