Molecule ID: mol19373
SMILES: CCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(NC(C)=O)ccc23)cc1
InChI: InChI=1S/C23H22N4O3S/c1-3-31(29,30)27-17-10-8-16(9-11-17)25-23-19-6-4-5-7-21(19)26-22-14-18(24-15(2)28)12-13-20(22)23/h4-14,27H,3H2,1-2H3,(H,24,28)(H,25,26)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.35 | Baltruschat ChEMBL | 1 » 0 |