Molecule ID: mol14125
SMILES: COc1cccc(C=O)c1O
InChI: InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-9)8(7)10/h2-5,10H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.91 | OCHEM | 0 » -1 |
| 7.91 | QSARToolbox | 0 » -1 |
| 7.91 | QSARToolbox | 0 » -1 |
| 7.91 | QSARToolbox | 0 » -1 |
| 7.91 | Datawarrior | 0 » -1 |
| 7.91 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 7.91 | OCHEM | 0 » -1 |
| 7.91 | OCHEM | 0 » -1 |
| 7.91 | OCHEM | 0 » -1 |
| 7.91 | OCHEM | 0 » -1 |
| 7.91 | OCHEM | 0 » -1 |
| 7.91 | OCHEM | 0 » -1 |
| 7.91 | OCHEM | 0 » -1 |
| 7.91 | OCHEM | 0 » -1 |
| 7.91 | OCHEM | 0 » -1 |
| 7.91 | QSARToolbox | 0 » -1 |
| 8.01 | AttenGpKa training set | 0 » -1 |