Molecule ID: mol17179
SMILES: CN(C)c1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12
InChI: InChI=1S/C22H22N4O2S/c1-26(2)21-14-15(25-29(3,27)28)12-13-20(21)24-22-16-8-4-6-10-18(16)23-19-11-7-5-9-17(19)22/h4-14,25H,1-3H3,(H,23,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.25 | Baltruschat ChEMBL | 1 » 0 |