Molecule ID: mol18186
SMILES: C[C@H](CO)Nc1cc(NS(=O)(=O)c2ccc(Cl)cc2)nc(SCc2ccccc2)n1
InChI: InChI=1S/C20H21ClN4O3S2/c1-14(12-26)22-18-11-19(25-30(27,28)17-9-7-16(21)8-10-17)24-20(23-18)29-13-15-5-3-2-4-6-15/h2-11,14,26H,12-13H2,1H3,(H2,22,23,24,25)/t14-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.50 | Baltruschat ChEMBL | 0 » -1 |