Molecule ID: mol20198
SMILES: COC(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1
InChI: InChI=1S/C21H17N3O2/c1-26-21(25)23-15-12-10-14(11-13-15)22-20-16-6-2-4-8-18(16)24-19-9-5-3-7-17(19)20/h2-13H,1H3,(H,22,24)(H,23,25)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.64 | Baltruschat ChEMBL | 1 » 0 |
| 7.64 | Baltruschat ChEMBL | 1 » 0 |