Molecule ID: mol9979
SMILES: O=C1C[C@@H](C(=O)O)[C@H](C(=O)O)C1
InChI: InChI=1S/C7H8O5/c8-3-1-4(6(9)10)5(2-3)7(11)12/h4-5H,1-2H2,(H,9,10)(H,11,12)/t4-,5-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.59 | IUPAC digitized pKa | 0 » -1 |
| 3.59 | AttenGpKa training set | 0 » -1 |
| 5.34 | IUPAC digitized pKa | -1 » -2 |
| 5.34 | AttenGpKa training set | -1 » -2 |