Molecule ID: mol21315
SMILES: CN(C)c1ccc2nc3ccccc3c(Nc3ccc(NS(C)(=O)=O)cc3)c2c1
InChI: InChI=1S/C22H22N4O2S/c1-26(2)17-12-13-21-19(14-17)22(18-6-4-5-7-20(18)24-21)23-15-8-10-16(11-9-15)25-29(3,27)28/h4-14,25H,1-3H3,(H,23,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.27 | Baltruschat ChEMBL | 1 » 0 |