Molecule ID: mol34541

SMILES: c1ccc2sc(SCCc3c[nH]cn3)nc2c1

InChI: InChI=1S/C12H11N3S2/c1-2-4-11-10(3-1)15-12(17-11)16-6-5-9-7-13-8-14-9/h1-4,7-8H,5-6H2,(H,13,14)

Experimental Macro pKa Values

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