Molecule ID: mol2261
SMILES: CCOCC(=O)O
InChI: InChI=1S/C4H8O3/c1-2-7-3-4(5)6/h2-3H2,1H3,(H,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.46 | IUPAC digitized pKa | 0 » -1 |
| 3.46 | QSARToolbox | 0 » -1 |
| 3.58 | QSARToolbox | 0 » -1 |
| 3.58 | QSARToolbox | 0 » -1 |
| 3.61 | OCHEM | 0 » -1 |
| 3.61 | Datawarrior | 0 » -1 |
| 3.62 | OCHEM | 0 » -1 |
| 3.65 | OCHEM | 0 » -1 |
| 3.65 | AttenGpKa training set | 0 » -1 |
| 3.65 | QSARToolbox | 0 » -1 |
| 3.65 | QSARToolbox | 0 » -1 |
| 3.84 | QSARToolbox | 0 » -1 |
| 3.84 | IUPAC digitized pKa | 0 » -1 |
| 3.84 | OCHEM | 0 » -1 |
| 3.84 | Hunt | 0 » -1 |