Molecule ID: mol13895
SMILES: CC(C)(C)CC(=O)n1cnc(Br)c1
InChI: InChI=1S/C9H13BrN2O/c1-9(2,3)4-8(13)12-5-7(10)11-6-12/h5-6H,4H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.00 | Datawarrior | 1 » 0 |
| 4.00 | OCHEM | 1 » 0 |
| 4.00 | QSARToolbox | 1 » 0 |