Molecule ID: mol18399
SMILES: CNC(=O)c1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3ccc([N+](=O)[O-])cc3nc12
InChI: InChI=1S/C23H21N5O6S/c1-24-23(29)17-6-4-5-16-21(15-9-8-14(28(30)31)12-19(15)26-22(16)17)25-18-10-7-13(11-20(18)34-2)27-35(3,32)33/h4-12,27H,1-3H3,(H,24,29)(H,25,26)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.71 | Baltruschat ChEMBL | 1 » 0 |