Molecule ID: mol14104
SMILES: CC1(C)CC(=O)C(Br)C(=O)C1
InChI: InChI=1S/C8H11BrO2/c1-8(2)3-5(10)7(9)6(11)4-8/h7H,3-4H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.10 | OCHEM | 0 » -1 |
| 3.10 | Datawarrior | 0 » -1 |
| 3.10 | AttenGpKa training set | 0 » -1 |