Molecule ID: mol15190
SMILES: Cc1cc(Nc2ccc(O)cc2)cc(C)c1O
InChI: InChI=1S/C14H15NO2/c1-9-7-12(8-10(2)14(9)17)15-11-3-5-13(16)6-4-11/h3-8,15-17H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.00 | Datawarrior | 0 » -1 |
| 10.00 | QSARToolbox | 0 » -1 |
| 10.45 | OCHEM | -1 » -2 |
| 10.90 | Datawarrior | -1 » -2 |