Molecule ID: mol20500

SMILES: O=C(Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1)c1cccnc1

InChI: InChI=1S/C21H16N6O/c28-20(16-5-3-10-23-14-16)25-17-6-1-7-18(12-17)26-21-24-11-8-19(27-21)15-4-2-9-22-13-15/h1-14H,(H,25,28)(H,24,26,27)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.56 Baltruschat ChEMBL 3 » 2
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Charge States and Microspecies Visualization