Molecule ID: mol10876
SMILES: COc1cc(C)ccc1C(=O)O
InChI: InChI=1S/C9H10O3/c1-6-3-4-7(9(10)11)8(5-6)12-2/h3-5H,1-2H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.38 | Datawarrior | 0 » -1 |
| 4.38 | OCHEM | 0 » -1 |
| 4.38 | OCHEM | 0 » -1 |
| 4.38 | QSARToolbox | 0 » -1 |
| 4.38 | QSARToolbox | 0 » -1 |
| 4.39 | AttenGpKa training set | 0 » -1 |