Molecule ID: mol36350
SMILES: O=C(O)[C@H]1C[C@@H](C(=O)O)C[C@@H](C(=O)O)C1
InChI: InChI=1S/C9H12O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h4-6H,1-3H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5+,6-
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.80 | QSARToolbox | 0 » -1 |
| 4.50 | QSARToolbox | 0 » -1 |