Molecule ID: mol11801
SMILES: C=C(Br)CC1(C(CC)CC)C(=O)NC(=O)NC1=O
InChI: InChI=1S/C12H17BrN2O3/c1-4-8(5-2)12(6-7(3)13)9(16)14-11(18)15-10(12)17/h8H,3-6H2,1-2H3,(H2,14,15,16,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.70 | QSARToolbox | 0 » -1 |
| 7.70 | IUPAC digitized pKa | 0 » -1 |