Molecule ID: mol10881
SMILES: COc1ccc(C)c(C(=O)O)c1
InChI: InChI=1S/C9H10O3/c1-6-3-4-7(12-2)5-8(6)9(10)11/h3-5H,1-2H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.84 | OCHEM | 0 » -1 |
| 3.84 | QSARToolbox | 0 » -1 |
| 3.84 | QSARToolbox | 0 » -1 |
| 3.84 | Datawarrior | 0 » -1 |
| 3.84 | OCHEM | 0 » -1 |