Molecule ID: mol11646
SMILES: C=C(Br)CC1(C(C)CC)C(=O)NC(=O)NC1=O
InChI: InChI=1S/C11H15BrN2O3/c1-4-6(2)11(5-7(3)12)8(15)13-10(17)14-9(11)16/h6H,3-5H2,1-2H3,(H2,13,14,15,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.69 | QSARToolbox | 0 » -1 |
| 7.71 | IUPAC digitized pKa | 0 » -1 |
| 7.71 | QSARToolbox | 0 » -1 |
| 7.71 | QSARToolbox | 0 » -1 |