Molecule ID: mol14098
SMILES: CC1CCCC(C)C1C(=O)O
InChI: InChI=1S/C9H16O2/c1-6-4-3-5-7(2)8(6)9(10)11/h6-8H,3-5H2,1-2H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.88 | Datawarrior | 0 » -1 |
| 4.88 | OCHEM | 0 » -1 |
| 4.88 | QSARToolbox | 0 » -1 |