Molecule ID: mol20218
SMILES: CNC(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1
InChI: InChI=1S/C21H18N4O/c1-22-21(26)24-15-12-10-14(11-13-15)23-20-16-6-2-4-8-18(16)25-19-9-5-3-7-17(19)20/h2-13H,1H3,(H,23,25)(H2,22,24,26)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.77 | Baltruschat ChEMBL | 1 » 0 |
| 7.77 | Baltruschat ChEMBL | 1 » 0 |