Molecule ID: mol32973
SMILES: CCC(CC)(CC(=O)O)C(=O)O
InChI: InChI=1S/C8H14O4/c1-3-8(4-2,7(11)12)5-6(9)10/h3-5H2,1-2H3,(H,9,10)(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.84 | QSARToolbox | 0 » -1 |
| 3.84 | QSARToolbox | 0 » -1 |
| 3.94 | QSARToolbox | 0 » -1 |
| 4.14 | OCHEM | 0 » -1 |
| 4.14 | OCHEM | 0 » -1 |
| 6.64 | QSARToolbox | -1 » -2 |