Molecule ID: mol11214
SMILES: Cc1ccc(C(=O)O)c(C)c1C
InChI: InChI=1S/C10H12O2/c1-6-4-5-9(10(11)12)8(3)7(6)2/h4-5H,1-3H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.06 | IUPAC digitized pKa | 0 » -1 |
| 4.06 | OCHEM | 0 » -1 |
| 4.60 | QSARToolbox | 0 » -1 |
| 4.60 | QSARToolbox | 0 » -1 |