Molecule ID: mol15484
SMILES: CC1=CC(=O)C(C(C)C)=CC1=Nc1ccc(O)cc1
InChI: InChI=1S/C16H17NO2/c1-10(2)14-9-15(11(3)8-16(14)19)17-12-4-6-13(18)7-5-12/h4-10,18H,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.80 | Datawarrior | 0 » -1 |
| 8.80 | QSARToolbox | 0 » -1 |
| 8.80 | OCHEM | 0 » -1 |