Molecule ID: mol17433
SMILES: O=C1/C(=C/c2ccc(Cl)cc2)CN(C(=O)c2ccc(OCCN3CCCCC3)cc2)C/C1=C\c1ccc(Cl)cc1
InChI: InChI=1S/C33H32Cl2N2O3/c34-29-10-4-24(5-11-29)20-27-22-37(23-28(32(27)38)21-25-6-12-30(35)13-7-25)33(39)26-8-14-31(15-9-26)40-19-18-36-16-2-1-3-17-36/h4-15,20-21H,1-3,16-19,22-23H2/b27-20+,28-21+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 11.12 | Baltruschat ChEMBL | 1 » 0 |