Molecule ID: mol3033

SMILES: c1ccc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc1

InChI: InChI=1S/C21H14N4/c1-2-6-15(7-3-1)16-12-23-21-19(13-24-25(21)14-16)17-10-11-22-20-9-5-4-8-18(17)20/h1-14H

Experimental Macro pKa Values

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