Molecule ID: mol20461
SMILES: Cc1cc(C)c2nc(-c3cccnc3)cc(C(=O)Nc3ccc4ccccc4c3)c2c1
InChI: InChI=1S/C27H21N3O/c1-17-12-18(2)26-23(13-17)24(15-25(30-26)21-8-5-11-28-16-21)27(31)29-22-10-9-19-6-3-4-7-20(19)14-22/h3-16H,1-2H3,(H,29,31)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.30 | Baltruschat ChEMBL | 1 » 0 |