Molecule ID: mol15935
SMILES: C/C=C/CC(=O)O
InChI: InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h2-3H,4H2,1H3,(H,6,7)/b3-2+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.28 | Datawarrior | 0 » -1 |
| 4.28 | QSARToolbox | 0 » -1 |
| 4.51 | AttenGpKa training set | 0 » -1 |
| 4.52 | OCHEM | 0 » -1 |
| 4.52 | OCHEM | 0 » -1 |