Molecule ID: mol12442
SMILES: CC(C)CCC(=O)O
InChI: InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.84 | Datawarrior | 0 » -1 |
| 4.84 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.84 | OCHEM | 0 » -1 |
| 4.84 | OCHEM | 0 » -1 |
| 4.84 | OCHEM | 0 » -1 |
| 4.84 | OCHEM | 0 » -1 |
| 4.84 | OCHEM | 0 » -1 |
| 4.84 | OCHEM | 0 » -1 |
| 4.84 | OCHEM | 0 » -1 |
| 4.84 | AttenGpKa training set | 0 » -1 |
| 4.84 | QSARToolbox | 0 » -1 |
| 4.84 | QSARToolbox | 0 » -1 |
| 4.84 | QSARToolbox | 0 » -1 |
| 4.84 | QSARToolbox | 0 » -1 |
| 4.84 | QSARToolbox | 0 » -1 |
| 4.84 | QSARToolbox | 0 » -1 |
| 4.84 | OCHEM | 0 » -1 |