Molecule ID: mol1902
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-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.34 | OCHEM | 0 » -1 |
| 4.34 | Hunt | 0 » -1 |
| 4.68 | QSARToolbox | 0 » -1 |
| 4.68 | Datawarrior | 0 » -1 |