Molecule ID: mol22558
SMILES: O=C(O)[C@H]1CC[C@@H](C(=O)O)CC1
InChI: InChI=1S/C8H12O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.44 | AttenGpKa training set | 0 » -1 |
| 5.79 | AttenGpKa training set | 0 » -1 |