Molecule ID: mol10928
SMILES: CC(C)C(C)(CC(=O)O)CC(=O)O
InChI: InChI=1S/C9H16O4/c1-6(2)9(3,4-7(10)11)5-8(12)13/h6H,4-5H2,1-3H3,(H,10,11)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.78 | IUPAC digitized pKa | 0 » -1 |
| 3.78 | AttenGpKa training set | 0 » -1 |
| 6.92 | IUPAC digitized pKa | -1 » -2 |
| 6.92 | AttenGpKa training set | -1 » -2 |