Molecule ID: mol38555
SMILES: CC(=O)N(CC(C)C(=O)O)c1c(I)cc(I)c(N)c1I
InChI: InChI=1S/C12H13I3N2O3/c1-5(12(19)20)4-17(6(2)18)11-8(14)3-7(13)10(16)9(11)15/h3,5H,4,16H2,1-2H3,(H,19,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.00 | QSARToolbox | 0 » -1 |
| 4.00 | QSARToolbox | 0 » -1 |