Molecule ID: mol36528
SMILES: CNC(=O)C=C(c1cccc(F)c1)c1ccc2nc(N)n(S(=O)(=O)NC(=O)N3CCOCC3)c2c1
InChI: InChI=1S/C22H23FN6O5S/c1-25-20(30)13-17(14-3-2-4-16(23)11-14)15-5-6-18-19(12-15)29(21(24)26-18)35(32,33)27-22(31)28-7-9-34-10-8-28/h2-6,11-13H,7-10H2,1H3,(H2,24,26)(H,25,30)(H,27,31)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.41 | QSARToolbox | 2 » 1 |