Molecule ID: mol10632
SMILES: CC(=O)Nc1cccc(O)c1
InChI: InChI=1S/C8H9NO2/c1-6(10)9-7-3-2-4-8(11)5-7/h2-5,11H,1H3,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.38 | Datawarrior | 0 » -1 |
| 9.38 | OCHEM | 0 » -1 |
| 9.38 | QSARToolbox | 0 » -1 |
| 9.38 | QSARToolbox | 0 » -1 |
| 9.38 | QSARToolbox | 0 » -1 |
| 9.44 | AttenGpKa training set | 0 » -1 |
| 9.49 | IUPAC digitized pKa | 0 » -1 |
| 9.59 | IUPAC digitized pKa | 0 » -1 |
| 9.60 | OCHEM | 0 » -1 |