Molecule ID: mol18691
SMILES: NC(=O)Cc1ccc(Nc2c3ccccc3nc3ccccc23)cc1
InChI: InChI=1S/C21H17N3O/c22-20(25)13-14-9-11-15(12-10-14)23-21-16-5-1-3-7-18(16)24-19-8-4-2-6-17(19)21/h1-12H,13H2,(H2,22,25)(H,23,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.43 | Baltruschat ChEMBL | 1 » 0 |
| 7.43 | Baltruschat ChEMBL | 1 » 0 |
| 7.43 | Baltruschat ChEMBL | 1 » 0 |