Molecule ID: mol22202
SMILES: COCCC(=O)O
InChI: InChI=1S/C4H8O3/c1-7-3-2-4(5)6/h2-3H2,1H3,(H,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.46 | AttenGpKa training set | 0 » -1 |
| 4.85 | QSARToolbox | 0 » -1 |
| 4.85 | QSARToolbox | 0 » -1 |
| 4.85 | OCHEM | 0 » -1 |