Molecule ID: mol10683
SMILES: CC(C)CC(=O)CC(=O)C(F)(F)F
InChI: InChI=1S/C8H11F3O2/c1-5(2)3-6(12)4-7(13)8(9,10)11/h5H,3-4H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.50 | IUPAC digitized pKa | 0 » -1 |
| 6.52 | Datawarrior | 0 » -1 |
| 6.52 | OCHEM | 0 » -1 |