Molecule ID: mol10015
SMILES: CC(C)(C)C(C(=O)O)C(=O)O
InChI: InChI=1S/C7H12O4/c1-7(2,3)4(5(8)9)6(10)11/h4H,1-3H3,(H,8,9)(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.92 | IUPAC digitized pKa | 0 » -1 |
| 2.92 | AttenGpKa training set | 0 » -1 |
| 7.04 | IUPAC digitized pKa | -1 » -2 |
| 7.04 | AttenGpKa training set | -1 » -2 |