Molecule ID: mol17697
SMILES: CC(=O)Nc1ccc2c(Nc3ccc(NS(=O)(=O)CCNC(=N)N)cc3)c3ccc([N+](=O)[O-])cc3nc2c1
InChI: InChI=1S/C24H24N8O5S/c1-14(33)28-17-6-8-19-21(12-17)30-22-13-18(32(34)35)7-9-20(22)23(19)29-15-2-4-16(5-3-15)31-38(36,37)11-10-27-24(25)26/h2-9,12-13,31H,10-11H2,1H3,(H,28,33)(H,29,30)(H4,25,26,27)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.55 | Baltruschat ChEMBL | 2 » 1 |