Molecule ID: mol2955

SMILES: N#Cc1ccc2[nH]cc(-c3ccnc(N)n3)c2c1

InChI: InChI=1S/C13H9N5/c14-6-8-1-2-11-9(5-8)10(7-17-11)12-3-4-16-13(15)18-12/h1-5,7,17H,(H2,15,16,18)

Experimental Macro pKa Values

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