Molecule ID: mol32975
SMILES: CCCC(C)(CC(=O)O)CC(=O)O
InChI: InChI=1S/C9H16O4/c1-3-4-9(2,5-7(10)11)6-8(12)13/h3-6H2,1-2H3,(H,10,11)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.63 | QSARToolbox | 0 » -1 |
| 3.63 | QSARToolbox | 0 » -1 |
| 3.63 | QSARToolbox | 0 » -1 |
| 3.93 | OCHEM | -1 » -2 |