Molecule ID: mol9560
SMILES: O=C(O)[C@H]1CC[C@H]1C(=O)O
InChI: InChI=1S/C6H8O4/c7-5(8)3-1-2-4(3)6(9)10/h3-4H,1-2H2,(H,7,8)(H,9,10)/t3-,4+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.09 | AttenGpKa training set | 0 » -1 |
| 4.16 | IUPAC digitized pKa | 0 » -1 |
| 4.20 | QSARToolbox | -1 » -2 |
| 6.23 | AttenGpKa training set | -1 » -2 |
| 6.23 | IUPAC digitized pKa | -1 » -2 |