Molecule ID: mol12350
SMILES: CO[C@H]1C[C@H]1C(=O)O
InChI: InChI=1S/C5H8O3/c1-8-4-2-3(4)5(6)7/h3-4H,2H2,1H3,(H,6,7)/t3-,4+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.76 | Datawarrior | 0 » -1 |
| 4.76 | AttenGpKa training set | 0 » -1 |
| 4.76 | QSARToolbox | 0 » -1 |