Molecule ID: mol21628
SMILES: Cc1cc(Cl)ccc1[C@@H]1CCc2c(C(=O)N(C)C)cc3c(nc(C)n3C)c2O1
InChI: InChI=1S/C22H24ClN3O2/c1-12-10-14(23)6-7-15(12)19-9-8-16-17(22(27)25(3)4)11-18-20(21(16)28-19)24-13(2)26(18)5/h6-7,10-11,19H,8-9H2,1-5H3/t19-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.59 | Baltruschat ChEMBL | 1 » 0 |