Molecule ID: mol12942
SMILES: O=C(O)[C@@H]1CCCC[C@@H]1O
InChI: InChI=1S/C7H12O3/c8-6-4-2-1-3-5(6)7(9)10/h5-6,8H,1-4H2,(H,9,10)/t5-,6+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.80 | Datawarrior | 0 » -1 |
| 4.80 | AttenGpKa training set | 0 » -1 |