Molecule ID: mol2629

SMILES: CNC1=Nc2ncccc2C(c2ccco2)=NC1c1cccs1

InChI: InChI=1S/C17H14N4OS/c1-18-17-15(13-7-4-10-23-13)20-14(12-6-3-9-22-12)11-5-2-8-19-16(11)21-17/h2-10,15H,1H3,(H,18,19,21)

Experimental Macro pKa Values

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