Molecule ID: mol19386
SMILES: CCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(NC(C)=O)ccc23)c(OC)c1
InChI: InChI=1S/C25H26N4O4S/c1-4-13-34(31,32)29-18-10-12-22(24(15-18)33-3)28-25-19-7-5-6-8-21(19)27-23-14-17(26-16(2)30)9-11-20(23)25/h5-12,14-15,29H,4,13H2,1-3H3,(H,26,30)(H,27,28)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.57 | Baltruschat ChEMBL | 1 » 0 |