Molecule ID: mol11217
SMILES: Cc1cc(C)c(C(=O)O)cc1C
InChI: InChI=1S/C10H12O2/c1-6-4-8(3)9(10(11)12)5-7(6)2/h4-5H,1-3H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.20 | AttenGpKa training set | 0 » -1 |
| 4.38 | IUPAC digitized pKa | 0 » -1 |
| 4.38 | OCHEM | 0 » -1 |
| 4.38 | QSARToolbox | 0 » -1 |
| 4.38 | QSARToolbox | 0 » -1 |