Molecule ID: mol21560
SMILES: COc1ccc(-c2c[nH]c(-c3ccccc3)n2)cc1
InChI: InChI=1S/C16H14N2O/c1-19-14-9-7-12(8-10-14)15-11-17-16(18-15)13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.83 | OCHEM | 1 » 0 |
| 5.83 | Baltruschat ChEMBL | 1 » 0 |