Molecule ID: mol12441
SMILES: CC(C)=CCC(=O)O
InChI: InChI=1S/C6H10O2/c1-5(2)3-4-6(7)8/h3H,4H2,1-2H3,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.60 | OCHEM | 0 » -1 |
| 4.60 | QSARToolbox | 0 » -1 |
| 4.60 | QSARToolbox | 0 » -1 |
| 4.60 | QSARToolbox | 0 » -1 |
| 4.60 | Datawarrior | 0 » -1 |
| 4.60 | OCHEM | 0 » -1 |
| 4.60 | OCHEM | 0 » -1 |
| 4.60 | OCHEM | 0 » -1 |
| 4.60 | AttenGpKa training set | 0 » -1 |