Molecule ID: mol9323
SMILES: CC/C=C/C(=O)O
InChI: InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.69 | Datawarrior | 0 » -1 |
| 4.69 | AttenGpKa training set | 0 » -1 |
| 4.69 | QSARToolbox | 0 » -1 |
| 4.70 | OCHEM | 0 » -1 |
| 4.70 | OCHEM | 0 » -1 |
| 4.74 | IUPAC digitized pKa | 0 » -1 |