Molecule ID: mol36527
SMILES: CNC(=O)C=C(c1cccc(F)c1)c1ccc2nc(N)n(S(=O)(=O)NC(=O)N3CCCC3)c2c1
InChI: InChI=1S/C22H23FN6O4S/c1-25-20(30)13-17(14-5-4-6-16(23)11-14)15-7-8-18-19(12-15)29(21(24)26-18)34(32,33)27-22(31)28-9-2-3-10-28/h4-8,11-13H,2-3,9-10H2,1H3,(H2,24,26)(H,25,30)(H,27,31)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.41 | QSARToolbox | 2 » 1 |