Molecule ID: mol9320
SMILES: C[C@H]1C[C@H]1C(=O)O
InChI: InChI=1S/C5H8O2/c1-3-2-4(3)5(6)7/h3-4H,2H2,1H3,(H,6,7)/t3-,4+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.02 | IUPAC digitized pKa | 0 » -1 |
| 5.02 | AttenGpKa training set | 0 » -1 |
| 5.03 | QSARToolbox | 0 » -1 |