Molecule ID: mol10878
SMILES: COc1cccc(C)c1C(=O)O
InChI: InChI=1S/C9H10O3/c1-6-4-3-5-7(12-2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.46 | Datawarrior | 0 » -1 |
| 3.46 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.46 | OCHEM | 0 » -1 |
| 3.46 | OCHEM | 0 » -1 |
| 3.46 | AttenGpKa training set | 0 » -1 |
| 3.46 | QSARToolbox | 0 » -1 |
| 3.46 | QSARToolbox | 0 » -1 |