Molecule ID: mol21506
SMILES: CCc1ccccc1C(=O)N(C1CCC2(CC1)OCCO2)C(Cc1ccc(Cl)cc1)CN(C)C
InChI: InChI=1S/C28H37ClN2O3/c1-4-22-7-5-6-8-26(22)27(32)31(24-13-15-28(16-14-24)33-17-18-34-28)25(20-30(2)3)19-21-9-11-23(29)12-10-21/h5-12,24-25H,4,13-20H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.40 | Baltruschat ChEMBL | 1 » 0 |