Molecule ID: mol14129
SMILES: COc1ccc(C=O)cc1O
InChI: InChI=1S/C8H8O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-5,10H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.88 | AttenGpKa training set | 0 » -1 |
| 8.89 | QSARToolbox | 0 » -1 |
| 8.89 | OCHEM | 0 » -1 |
| 8.89 | OCHEM | 0 » -1 |
| 8.89 | OCHEM | 0 » -1 |
| 8.89 | OCHEM | 0 » -1 |
| 8.89 | OCHEM | 0 » -1 |
| 8.89 | Datawarrior | 0 » -1 |
| 8.89 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 8.89 | OCHEM | 0 » -1 |
| 8.89 | OCHEM | 0 » -1 |
| 8.89 | OCHEM | 0 » -1 |
| 8.89 | OCHEM | 0 » -1 |
| 8.89 | OCHEM | 0 » -1 |
| 8.89 | QSARToolbox | 0 » -1 |
| 8.89 | QSARToolbox | 0 » -1 |