Molecule ID: mol20222
SMILES: CCc1ccccc1Nc1c2ccccc2nc2ccccc12
InChI: InChI=1S/C21H18N2/c1-2-15-9-3-6-12-18(15)23-21-16-10-4-7-13-19(16)22-20-14-8-5-11-17(20)21/h3-14H,2H2,1H3,(H,22,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.68 | Baltruschat ChEMBL | 1 » 0 |
| 7.68 | Baltruschat ChEMBL | 1 » 0 |