Molecule ID: mol20460
SMILES: Cc1cc(C)c2nc(-c3ccccn3)cc(C(=O)Nc3ccc4ccccc4c3)c2c1
InChI: InChI=1S/C27H21N3O/c1-17-13-18(2)26-22(14-17)23(16-25(30-26)24-9-5-6-12-28-24)27(31)29-21-11-10-19-7-3-4-8-20(19)15-21/h3-16H,1-2H3,(H,29,31)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.05 | Baltruschat ChEMBL | 1 » 0 |