Molecule ID: mol12909
SMILES: C[C@H]1CC[C@@H](C(=O)O)CC1
InChI: InChI=1S/C8H14O2/c1-6-2-4-7(5-3-6)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/t6-,7+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.04 | QSARToolbox | 0 » -1 |
| 5.04 | Datawarrior | 0 » -1 |
| 5.04 | AttenGpKa training set | 0 » -1 |