Molecule ID: mol12944
SMILES: O=C(O)[C@H]1CC[C@@H](O)CC1
InChI: InChI=1S/C7H12O3/c8-6-3-1-5(2-4-6)7(9)10/h5-6,8H,1-4H2,(H,9,10)/t5-,6+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.84 | Datawarrior | 0 » -1 |
| 4.84 | AttenGpKa training set | 0 » -1 |
| 4.84 | QSARToolbox | 0 » -1 |