Molecule ID: mol18183

SMILES: C[C@H](CO)Nc1cc(NS(C)(=O)=O)nc(SCc2ccccc2)n1

InChI: InChI=1S/C15H20N4O3S2/c1-11(9-20)16-13-8-14(19-24(2,21)22)18-15(17-13)23-10-12-6-4-3-5-7-12/h3-8,11,20H,9-10H2,1-2H3,(H2,16,17,18,19)/t11-/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.90 Baltruschat ChEMBL 0 » -1
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Charge States and Microspecies Visualization