Molecule ID: mol16665

SMILES: NCc1ccc(CNC(=O)c2csc3nc[nH]c(=O)c23)cc1

InChI: InChI=1S/C15H14N4O2S/c16-5-9-1-3-10(4-2-9)6-17-13(20)11-7-22-15-12(11)14(21)18-8-19-15/h1-4,7-8H,5-6,16H2,(H,17,20)(H,18,19,21)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
14.40 Baltruschat ChEMBL -1 » -2
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Charge States and Microspecies Visualization