Molecule ID: mol14691
SMILES: COc1ccc(-c2cnc(-c3ccc(C)cc3)o2)cc1
InChI: InChI=1S/C17H15NO2/c1-12-3-5-14(6-4-12)17-18-11-16(20-17)13-7-9-15(19-2)10-8-13/h3-11H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.26 | QSARToolbox | 1 » 0 |
| 1.26 | Datawarrior | 1 » 0 |
| 1.26 | OCHEM | 1 » 0 |