Molecule ID: mol22608
SMILES: COC(=O)CC(C(=O)O)c1ccccc1
InChI: InChI=1S/C11H12O4/c1-15-10(12)7-9(11(13)14)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.05 | OCHEM | 0 » -1 |
| 4.05 | AttenGpKa training set | 0 » -1 |
| 4.50 | QSARToolbox | 0 » -1 |