Molecule ID: mol12915
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 |
|---|---|---|
| 5.40 | Datawarrior | 0 » -1 |
| 5.40 | QSARToolbox | 0 » -1 |