Molecule ID: mol21773
SMILES: CCCC(CC)C(=O)O
InChI: InChI=1S/C7H14O2/c1-3-5-6(4-2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
| 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 | QSARToolbox | 0 » -1 |