Molecule ID: mol20224
SMILES: CC(=O)Nc1cccc(Nc2c3ccccc3nc3ccccc23)c1
InChI: InChI=1S/C21H17N3O/c1-14(25)22-15-7-6-8-16(13-15)23-21-17-9-2-4-11-19(17)24-20-12-5-3-10-18(20)21/h2-13H,1H3,(H,22,25)(H,23,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.16 | Baltruschat ChEMBL | 1 » 0 |