Molecule ID: mol17437
SMILES: CCN(CC)CCOc1ccc(C(=O)N2C/C(=C\c3ccc(Cl)cc3)C(=O)/C(=C/c3ccc(Cl)cc3)C2)cc1
InChI: InChI=1S/C32H32Cl2N2O3/c1-3-35(4-2)17-18-39-30-15-9-25(10-16-30)32(38)36-21-26(19-23-5-11-28(33)12-6-23)31(37)27(22-36)20-24-7-13-29(34)14-8-24/h5-16,19-20H,3-4,17-18,21-22H2,1-2H3/b26-19+,27-20+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.84 | Baltruschat ChEMBL | 1 » 0 |