Molecule ID: mol15189
SMILES: CC1=CC(=Nc2ccc(O)cc2)C=C(C)C1=O
InChI: InChI=1S/C14H13NO2/c1-9-7-12(8-10(2)14(9)17)15-11-3-5-13(16)6-4-11/h3-8,16H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.90 | OCHEM | 0 » -1 |
| 8.90 | QSARToolbox | 0 » -1 |
| 8.90 | Datawarrior | 0 » -1 |