Molecule ID: mol19375
SMILES: CCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(NC(C)=O)ccc23)cc1
InChI: InChI=1S/C25H26N4O3S/c1-3-4-15-33(31,32)29-19-11-9-18(10-12-19)27-25-21-7-5-6-8-23(21)28-24-16-20(26-17(2)30)13-14-22(24)25/h5-14,16,29H,3-4,15H2,1-2H3,(H,26,30)(H,27,28)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.32 | Baltruschat ChEMBL | 1 » 0 |