Molecule ID: mol15937
SMILES: CC(C)CC(=O)O
InChI: InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.77 | QSARToolbox | 0 » -1 |
| 4.77 | QSARToolbox | 0 » -1 |
| 4.77 | QSARToolbox | 0 » -1 |
| 4.77 | QSARToolbox | 0 » -1 |
| 4.77 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.77 | OCHEM | 0 » -1 |
| 4.77 | OCHEM | 0 » -1 |
| 4.77 | OCHEM | 0 » -1 |
| 4.77 | OCHEM | 0 » -1 |
| 4.77 | OCHEM | 0 » -1 |
| 4.78 | OCHEM | 0 » -1 |
| 4.78 | AttenGpKa training set | 0 » -1 |
| 4.78 | QSARToolbox | 0 » -1 |
| 4.78 | QSARToolbox | 0 » -1 |
| 4.79 | QSARToolbox | 0 » -1 |
| 4.79 | QSARToolbox | 0 » -1 |
| 4.79 | QSARToolbox | 0 » -1 |
| 4.79 | Datawarrior | 0 » -1 |
| 4.79 | OCHEM | 0 » -1 |
| 4.90 | QSARToolbox | 0 » -1 |
| 4.92 | QSARToolbox | 0 » -1 |
| 4.92 | QSARToolbox | 0 » -1 |