Molecule ID: mol15549
SMILES: Cc1ccc(-c2cnc(-c3ccc(C)cc3)o2)cc1
InChI: InChI=1S/C17H15NO/c1-12-3-7-14(8-4-12)16-11-18-17(19-16)15-9-5-13(2)6-10-15/h3-11H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.12 | Datawarrior | 1 » 0 |
| 1.12 | OCHEM | 1 » 0 |
| 1.12 | QSARToolbox | 1 » 0 |