Molecule ID: mol10874
SMILES: Cc1ccc(C)c(C(=O)O)c1O
InChI: InChI=1S/C9H10O3/c1-5-3-4-6(2)8(10)7(5)9(11)12/h3-4,10H,1-2H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.23 | IUPAC digitized pKa | 0 » -1 |
| 3.23 | OCHEM | 0 » -1 |
| 3.23 | AttenGpKa training set | 0 » -1 |
| 3.23 | QSARToolbox | 0 » -1 |
| 3.23 | QSARToolbox | 0 » -1 |
| 12.32 | IUPAC digitized pKa | -1 » -2 |
| 12.32 | AttenGpKa training set | -1 » -2 |