Molecule ID: mol17429
SMILES: O=C1/C(=C/c2ccc(Cl)cc2)CN(C(=O)c2ccc(OCCN3CCOCC3)cc2)C/C1=C\c1ccc(Cl)cc1
InChI: InChI=1S/C32H30Cl2N2O4/c33-28-7-1-23(2-8-28)19-26-21-36(22-27(31(26)37)20-24-3-9-29(34)10-4-24)32(38)25-5-11-30(12-6-25)40-18-15-35-13-16-39-17-14-35/h1-12,19-20H,13-18,21-22H2/b26-19+,27-20+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.50 | Baltruschat ChEMBL | 1 » 0 |