Molecule ID: mol21635
SMILES: Cc1ccccc1[C@@H]1CCc2c(C(=O)N(C)C)cc3c(nc(C4CC4)n3C)c2O1
InChI: InChI=1S/C24H27N3O2/c1-14-7-5-6-8-16(14)20-12-11-17-18(24(28)26(2)3)13-19-21(22(17)29-20)25-23(27(19)4)15-9-10-15/h5-8,13,15,20H,9-12H2,1-4H3/t20-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.28 | Baltruschat ChEMBL | 1 » 0 |