Molecule ID: mol34213
SMILES: C=C(Br)CC1(C(C)C)C(=O)NC(=O)N(C)C1=O
InChI: InChI=1S/C11H15BrN2O3/c1-6(2)11(5-7(3)12)8(15)13-10(17)14(4)9(11)16/h6H,3,5H2,1-2,4H3,(H,13,15,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.75 | QSARToolbox | 0 » -1 |
| 7.75 | QSARToolbox | 0 » -1 |
| 8.05 | QSARToolbox | 0 » -1 |