Molecule ID: mol21552
SMILES: COc1ccc(-c2nc(-c3ccccc3)c[nH]2)cc1
InChI: InChI=1S/C16H14N2O/c1-19-14-9-7-13(8-10-14)16-17-11-15(18-16)12-5-3-2-4-6-12/h2-11H,1H3,(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.03 | OCHEM | 1 » 0 |
| 6.03 | Baltruschat ChEMBL | 1 » 0 |