Molecule ID: mol32398
SMILES: CC=CCC(=O)O
InChI: InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h2-3H,4H2,1H3,(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.28 | OCHEM | 0 » -1 |
| 4.51 | OCHEM | 0 » -1 |
| 4.51 | QSARToolbox | 0 » -1 |
| 4.51 | QSARToolbox | 0 » -1 |
| 4.51 | QSARToolbox | 0 » -1 |