Molecule ID: mol19690

SMILES: NC1=NC(c2ccncc2)(c2cccc(-c3cncnc3)c2)c2ccccc21

InChI: InChI=1S/C23H17N5/c24-22-20-6-1-2-7-21(20)23(28-22,18-8-10-25-11-9-18)19-5-3-4-16(12-19)17-13-26-15-27-14-17/h1-15H,(H2,24,28)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.40 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization