Molecule ID: mol13474
SMILES: CC(C)(C)CCC(=O)O
InChI: InChI=1S/C7H14O2/c1-7(2,3)5-4-6(8)9/h4-5H2,1-3H3,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.81 | OCHEM | 0 » -1 |
| 4.81 | AttenGpKa training set | 0 » -1 |
| 4.83 | OCHEM | 0 » -1 |
| 4.83 | QSARToolbox | 0 » -1 |
| 4.83 | QSARToolbox | 0 » -1 |
| 4.83 | Datawarrior | 0 » -1 |