Molecule ID: mol21630
SMILES: Cc1cc(Cl)ccc1[C@@H]1CCc2c(C(=O)N3CCC3)cc3c(nc(C)n3C)c2O1
InChI: InChI=1S/C23H24ClN3O2/c1-13-11-15(24)5-6-16(13)20-8-7-17-18(23(28)27-9-4-10-27)12-19-21(22(17)29-20)25-14(2)26(19)3/h5-6,11-12,20H,4,7-10H2,1-3H3/t20-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.49 | Baltruschat ChEMBL | 1 » 0 |