Molecule ID: mol17439
SMILES: CCN(CC)CCOc1ccc(C(=O)N2C/C(=C\c3ccccc3)C(=O)/C(=C/c3ccccc3)C2)cc1
InChI: InChI=1S/C32H34N2O3/c1-3-33(4-2)19-20-37-30-17-15-27(16-18-30)32(36)34-23-28(21-25-11-7-5-8-12-25)31(35)29(24-34)22-26-13-9-6-10-14-26/h5-18,21-22H,3-4,19-20,23-24H2,1-2H3/b28-21+,29-22+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.84 | Baltruschat ChEMBL | 1 » 0 |