Molecule ID: mol736
SMILES: CCC/C=C(/C)C(=O)O
InChI: InChI=1S/C7H12O2/c1-3-4-5-6(2)7(8)9/h5H,3-4H2,1-2H3,(H,8,9)/b6-5-
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.44 | Datawarrior | 0 » -1 |
| 4.44 | QSARToolbox | 0 » -1 |
| 4.74 | OCHEM | 0 » -1 |
| 4.74 | Hunt | 0 » -1 |