Molecule ID: mol3034

SMILES: c1ccc(-c2nc3n(c2-c2ccccc2)CCS3)cc1

InChI: InChI=1S/C17H14N2S/c1-3-7-13(8-4-1)15-16(14-9-5-2-6-10-14)19-11-12-20-17(19)18-15/h1-10H,11-12H2

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