Molecule ID: mol2924

SMILES: Cc1csc2ncnc(NCCc3ccc(Cl)cc3)c12

InChI: InChI=1S/C15H14ClN3S/c1-10-8-20-15-13(10)14(18-9-19-15)17-7-6-11-2-4-12(16)5-3-11/h2-5,8-9H,6-7H2,1H3,(H,17,18,19)

Experimental Macro pKa Values

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