Molecule ID: mol15546
SMILES: COc1ccc(-c2ncc(-c3ccccc3)o2)cc1
InChI: InChI=1S/C16H13NO2/c1-18-14-9-7-13(8-10-14)16-17-11-15(19-16)12-5-3-2-4-6-12/h2-11H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.25 | Datawarrior | 1 » 0 |
| 1.25 | OCHEM | 1 » 0 |
| 1.25 | QSARToolbox | 1 » 0 |