Molecule ID: mol10871
SMILES: CC(C(=O)O)c1ccccc1
InChI: InChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.23 | QSARToolbox | 0 » -1 |
| 4.30 | IUPAC digitized pKa | 0 » -1 |
| 4.35 | AttenGpKa training set | 0 » -1 |
| 4.64 | QSARToolbox | 0 » -1 |
| 6.85 | QSARToolbox | 0 » -1 |
| 6.85 | QSARToolbox | 0 » -1 |