Molecule ID: mol12914
SMILES: C[C@@H]1CC[C@H](C)[C@H]1C(=O)O
InChI: InChI=1S/C8H14O2/c1-5-3-4-6(2)7(5)8(9)10/h5-7H,3-4H2,1-2H3,(H,9,10)/t5-,6+,7+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.69 | Datawarrior | 0 » -1 |
| 4.69 | QSARToolbox | 0 » -1 |