Molecule ID: mol18188
SMILES: C[C@H](CO)Nc1cc(NS(=O)(=O)N(C)C)nc(SCc2ccccc2)n1
InChI: InChI=1S/C16H23N5O3S2/c1-12(10-22)17-14-9-15(20-26(23,24)21(2)3)19-16(18-14)25-11-13-7-5-4-6-8-13/h4-9,12,22H,10-11H2,1-3H3,(H2,17,18,19,20)/t12-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.30 | Baltruschat ChEMBL | 0 » -1 |