Molecule ID: mol13701
SMILES: CC(C)(C)C(=O)NC(O)C(Cl)(Cl)Cl
InChI: InChI=1S/C7H12Cl3NO2/c1-6(2,3)4(12)11-5(13)7(8,9)10/h5,13H,1-3H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 14.65 | QSARToolbox | -1 » -2 |
| 14.65 | Datawarrior | -1 » -2 |
| 14.65 | OCHEM | -1 » -2 |