Molecule ID: mol20180
SMILES: CC(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1
InChI: InChI=1S/C21H17N3O/c1-14(25)22-15-10-12-16(13-11-15)23-21-17-6-2-4-8-19(17)24-20-9-5-3-7-18(20)21/h2-13H,1H3,(H,22,25)(H,23,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.51 | Baltruschat ChEMBL | 1 » 0 |
| 7.51 | Baltruschat ChEMBL | 1 » 0 |