Molecule ID: mol481
SMILES: CCCC(=O)OO
InChI: InChI=1S/C4H8O3/c1-2-3-4(5)7-6/h6H,2-3H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.20 | OCHEM | 0 » -1 |
| 8.20 | QSARToolbox | 0 » -1 |
| 8.20 | QSARToolbox | 0 » -1 |
| 8.20 | IUPAC digitized pKa | 0 » -1 |
| 8.20 | Datawarrior | 0 » -1 |
| 8.20 | OCHEM | 0 » -1 |
| 8.20 | Hunt | 0 » -1 |
| 8.20 | AttenGpKa training set | 0 » -1 |