Molecule ID: mol18181

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

InChI: InChI=1S/C15H17N3O3S/c1-10(8-19)16-13-7-12(14(20)21)17-15(18-13)22-9-11-5-3-2-4-6-11/h2-7,10,19H,8-9H2,1H3,(H,20,21)(H,16,17,18)/t10-/m1/s1

Experimental Macro pKa Values

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