Molecule ID: mol34530

SMILES: c1ccc2sc(NCCCc3c[nH]cn3)nc2c1

InChI: InChI=1S/C13H14N4S/c1-2-6-12-11(5-1)17-13(18-12)15-7-3-4-10-8-14-9-16-10/h1-2,5-6,8-9H,3-4,7H2,(H,14,16)(H,15,17)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.33 QSARToolbox 1 » 0
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Charge States and Microspecies Visualization