Molecule ID: mol35117
SMILES: C[C@]1(C(=O)O)C[C@@](C)(C(=O)O)C[C@@](C)(C(=O)O)C1
InChI: InChI=1S/C12H18O6/c1-10(7(13)14)4-11(2,8(15)16)6-12(3,5-10)9(17)18/h4-6H2,1-3H3,(H,13,14)(H,15,16)(H,17,18)/t10-,11+,12-
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.30 | QSARToolbox | 0 » -1 |
| 5.85 | QSARToolbox | -2 » -3 |
| 7.30 | QSARToolbox | -2 » -3 |