Molecule ID: mol19580
SMILES: CC1C2c3ccccc3C(c3ccccc32)C1C(=O)Nc1ccncc1
InChI: InChI=1S/C23H20N2O/c1-14-20-16-6-2-4-8-18(16)22(19-9-5-3-7-17(19)20)21(14)23(26)25-15-10-12-24-13-11-15/h2-14,20-22H,1H3,(H,24,25,26)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.27 | Baltruschat ChEMBL | 1 » 0 |