Molecule ID: mol22611
SMILES: COC(=O)C(CC(=O)O)c1ccccc1
InChI: InChI=1S/C11H12O4/c1-15-11(14)9(7-10(12)13)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.35 | OCHEM | 0 » -1 |
| 4.35 | AttenGpKa training set | 0 » -1 |
| 4.36 | QSARToolbox | 0 » -1 |