Molecule ID: mol12917
SMILES: CC(=O)c1ccccc1O
InChI: InChI=1S/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.19 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 9.90 | OCHEM | 0 » -1 |
| 9.90 | OCHEM | 0 » -1 |
| 10.06 | QSARToolbox | 0 » -1 |
| 10.06 | QSARToolbox | 0 » -1 |
| 10.10 | OCHEM | 0 » -1 |
| 10.17 | QSARToolbox | 0 » -1 |
| 10.25 | AttenGpKa training set | 0 » -1 |
| 10.37 | Datawarrior | 0 » -1 |
| 10.37 | OCHEM | 0 » -1 |
| 10.54 | QSARToolbox | 0 » -1 |