Molecule ID: mol2577
SMILES: CCC(CC)C(=O)O
InChI: InChI=1S/C6H12O2/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.71 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.71 | OCHEM | 0 » -1 |
| 4.71 | OCHEM | 0 » -1 |
| 4.71 | OCHEM | 0 » -1 |
| 4.71 | OCHEM | 0 » -1 |
| 4.71 | AttenGpKa training set | 0 » -1 |
| 4.71 | QSARToolbox | 0 » -1 |
| 4.71 | QSARToolbox | 0 » -1 |
| 4.73 | Datawarrior | 0 » -1 |
| 4.73 | OCHEM | 0 » -1 |
| 4.73 | OCHEM | 0 » -1 |
| 4.73 | Hunt | 0 » -1 |
| 4.73 | OCHEM | 0 » -1 |
| 4.75 | QSARToolbox | 0 » -1 |
| 4.75 | QSARToolbox | 0 » -1 |
| 4.75 | QSARToolbox | 0 » -1 |
| 4.93 | QSARToolbox | 0 » -1 |