Molecule ID: mol1793
SMILES: CC(C)(C)CC(=O)O
InChI: InChI=1S/C6H12O2/c1-6(2,3)4-5(7)8/h4H2,1-3H3,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.79 | OCHEM | 0 » -1 |
| 4.79 | Hunt | 0 » -1 |
| 5.00 | QSARToolbox | 0 » -1 |
| 5.00 | AttenGpKa training set | 0 » -1 |
| 5.01 | Datawarrior | 0 » -1 |
| 5.01 | OCHEM | 0 » -1 |
| 5.01 | QSARToolbox | 0 » -1 |
| 5.01 | QSARToolbox | 0 » -1 |