Molecule ID: mol10882
SMILES: COc1ccc(C(=O)O)c(C)c1
InChI: InChI=1S/C9H10O3/c1-6-5-7(12-2)3-4-8(6)9(10)11/h3-5H,1-2H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.28 | AttenGpKa training set | 0 » -1 |
| 4.54 | QSARToolbox | 0 » -1 |
| 4.54 | QSARToolbox | 0 » -1 |
| 4.54 | Datawarrior | 0 » -1 |
| 4.54 | OCHEM | 0 » -1 |
| 4.54 | OCHEM | 0 » -1 |