Molecule ID: mol13854
SMILES: Cc1ccc(C)c(C(=O)C(=O)O)c1
InChI: InChI=1S/C10H10O3/c1-6-3-4-7(2)8(5-6)9(11)10(12)13/h3-5H,1-2H3,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.45 | Datawarrior | 0 » -1 |
| 1.45 | OCHEM | 0 » -1 |
| 1.45 | AttenGpKa training set | 0 » -1 |
| 1.45 | QSARToolbox | 0 » -1 |