Molecule ID: mol2874

SMILES: COc1cccc2[nH]cc(-c3ccnc(N)n3)c12

InChI: InChI=1S/C13H12N4O/c1-18-11-4-2-3-10-12(11)8(7-16-10)9-5-6-15-13(14)17-9/h2-7,16H,1H3,(H2,14,15,17)

Experimental Macro pKa Values

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