Molecule ID: mol22238
SMILES: CC(C)=CCCC(=O)O
InChI: InChI=1S/C7H12O2/c1-6(2)4-3-5-7(8)9/h4H,3,5H2,1-2H3,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.80 | OCHEM | 0 » -1 |
| 4.80 | OCHEM | 0 » -1 |
| 4.80 | OCHEM | 0 » -1 |
| 4.80 | AttenGpKa training set | 0 » -1 |
| 4.80 | QSARToolbox | 0 » -1 |
| 4.80 | QSARToolbox | 0 » -1 |