Molecule ID: mol36494
SMILES: NC(=O)C=C(c1cccc(F)c1)c1ccc2nc(N)n(S(=O)(=O)NC(=O)N3CCOCC3)c2c1
InChI: InChI=1S/C21H21FN6O5S/c22-15-3-1-2-13(10-15)16(12-19(23)29)14-4-5-17-18(11-14)28(20(24)25-17)34(31,32)26-21(30)27-6-8-33-9-7-27/h1-5,10-12H,6-9H2,(H2,23,29)(H2,24,25)(H,26,30)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.41 | QSARToolbox | 2 » 1 |