Molecule ID: mol11463
SMILES: C=C(Br)CC1(C(C)C)C(=O)NC(=O)NC1=O
InChI: InChI=1S/C10H13BrN2O3/c1-5(2)10(4-6(3)11)7(14)12-9(16)13-8(10)15/h5H,3-4H2,1-2H3,(H2,12,13,14,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.55 | QSARToolbox | 0 » -1 |
| 7.55 | QSARToolbox | 0 » -1 |
| 7.63 | QSARToolbox | 0 » -1 |
| 7.72 | QSARToolbox | 0 » -1 |
| 7.72 | IUPAC digitized pKa | 0 » -1 |