Molecule ID: mol13208
SMILES: Cc1cc(C)c(C(=O)C(=O)O)c(C)c1
InChI: InChI=1S/C11H12O3/c1-6-4-7(2)9(8(3)5-6)10(12)11(13)14/h4-5H,1-3H3,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.34 | Datawarrior | 0 » -1 |
| 1.34 | OCHEM | 0 » -1 |
| 1.34 | QSARToolbox | 0 » -1 |
| 1.34 | QSARToolbox | 0 » -1 |
| 1.37 | AttenGpKa training set | 0 » -1 |