Molecule ID: mol36078
SMILES: CN(C)C(=O)NS(=O)(=O)n1c(N)nc2ccc(C(=CC(N)=O)c3cccc(F)c3)cc21
InChI: InChI=1S/C19H19FN6O4S/c1-25(2)19(28)24-31(29,30)26-16-9-12(6-7-15(16)23-18(26)22)14(10-17(21)27)11-4-3-5-13(20)8-11/h3-10H,1-2H3,(H2,21,27)(H2,22,23)(H,24,28)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.41 | QSARToolbox | 1 » 0 |