Molecule ID: mol14090
SMILES: O=C(O)[C@@H]1CC[C@H](C(=O)O)C1
InChI: InChI=1S/C7H10O4/c8-6(9)4-1-2-5(3-4)7(10)11/h4-5H,1-3H2,(H,8,9)(H,10,11)/t4-,5+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.23 | AttenGpKa training set | 0 » -1 |
| 4.23 | QSARToolbox | 0 » -1 |
| 4.24 | Datawarrior | 0 » -1 |
| 4.26 | QSARToolbox | 0 » -1 |
| 5.51 | QSARToolbox | 0 » -1 |
| 5.52 | Datawarrior | 0 » -1 |
| 5.53 | AttenGpKa training set | 0 » -1 |