Molecule ID: mol21553
SMILES: COc1cccc(-c2nc(-c3ccccc3)c[nH]2)c1
InChI: InChI=1S/C16H14N2O/c1-19-14-9-5-8-13(10-14)16-17-11-15(18-16)12-6-3-2-4-7-12/h2-11H,1H3,(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.57 | OCHEM | 1 » 0 |
| 5.57 | Baltruschat ChEMBL | 1 » 0 |