Molecule ID: mol2819

SMILES: CCc1ccc(-c2cn3c(n2)SCC3)cc1

InChI: InChI=1S/C13H14N2S/c1-2-10-3-5-11(6-4-10)12-9-15-7-8-16-13(15)14-12/h3-6,9H,2,7-8H2,1H3

Experimental Macro pKa Values

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