Molecule ID: mol16007
SMILES: O=C(O)[C@@H]1C[C@@H]1Cl
InChI: InChI=1S/C4H5ClO2/c5-3-1-2(3)4(6)7/h2-3H,1H2,(H,6,7)/t2-,3+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.12 | QSARToolbox | 0 » -1 |
| 4.12 | Datawarrior | 0 » -1 |
| 4.12 | AttenGpKa training set | 0 » -1 |