Molecule ID: mol18185
SMILES: C[C@H](CO)Nc1cc(NS(=O)(=O)c2ccccc2)nc(SCc2ccccc2)n1
InChI: InChI=1S/C20H22N4O3S2/c1-15(13-25)21-18-12-19(24-29(26,27)17-10-6-3-7-11-17)23-20(22-18)28-14-16-8-4-2-5-9-16/h2-12,15,25H,13-14H2,1H3,(H2,21,22,23,24)/t15-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.60 | Baltruschat ChEMBL | 0 » -1 |