Molecule ID: mol16271

SMILES: c1ccc(-c2cnc3[nH]cc(-c4ccc(-c5nnn[nH]5)cc4)c3c2)cc1

InChI: InChI=1S/C20H14N6/c1-2-4-13(5-3-1)16-10-17-18(12-22-20(17)21-11-16)14-6-8-15(9-7-14)19-23-25-26-24-19/h1-12H,(H,21,22)(H,23,24,25,26)

Experimental Macro pKa Values

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