Molecule ID: mol10918
SMILES: CC[C@@]1(C(=O)O)C[C@]1(CC)C(=O)O
InChI: InChI=1S/C9H14O4/c1-3-8(6(10)11)5-9(8,4-2)7(12)13/h3-5H2,1-2H3,(H,10,11)(H,12,13)/t8-,9+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.16 | IUPAC digitized pKa | 0 » -1 |
| 4.16 | AttenGpKa training set | -1 » -2 |
| 6.58 | IUPAC digitized pKa | -1 » -2 |
| 6.58 | AttenGpKa training set | -1 » -2 |