Molecule ID: mol1904
SMILES: CC(=O)c1ccc(O)cc1
InChI: InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.75 | QSARToolbox | 0 » -1 |
| 7.75 | QSARToolbox | 0 » -1 |
| 7.84 | QSARToolbox | 0 » -1 |
| 7.84 | QSARToolbox | 0 » -1 |
| 7.87 | QSARToolbox | 0 » -1 |
| 7.87 | IUPAC digitized pKa | 0 » -1 |
| 7.90 | Datawarrior | 0 » -1 |
| 7.90 | OCHEM | 0 » -1 |
| 7.96 | QSARToolbox | 0 » -1 |
| 7.96 | QSARToolbox | 0 » -1 |
| 8.01 | IUPAC digitized pKa | 0 » -1 |
| 8.02 | AttenGpKa training set | 0 » -1 |
| 8.03 | OCHEM | 0 » -1 |
| 8.05 | IUPAC digitized pKa | 0 » -1 |
| 8.05 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 8.05 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 8.05 | OCHEM | 0 » -1 |
| 8.05 | OCHEM | 0 » -1 |
| 8.05 | OCHEM | 0 » -1 |
| 8.05 | OCHEM | 0 » -1 |
| 8.05 | OCHEM | 0 » -1 |
| 8.05 | Hunt | 0 » -1 |
| 8.05 | OCHEM | 0 » -1 |
| 8.05 | OCHEM | 0 » -1 |
| 8.05 | OCHEM | 0 » -1 |
| 8.05 | OCHEM | 0 » -1 |
| 8.05 | QSARToolbox | 0 » -1 |
| 8.05 | QSARToolbox | 0 » -1 |
| 8.05 | QSARToolbox | 0 » -1 |
| 8.05 | QSARToolbox | 0 » -1 |
| 8.05 | QSARToolbox | 0 » -1 |
| 8.05 | QSARToolbox | 0 » -1 |
| 8.10 | QSARToolbox | 0 » -1 |
| 8.50 | QSARToolbox | 0 » -1 |