Molecule ID: mol16823

SMILES: Cc1c[nH]c(NC(=O)c2nc(C)cc3c(-c4ccccn4)c[nH]c23)n1

InChI: InChI=1S/C18H16N6O/c1-10-7-12-13(14-5-3-4-6-19-14)9-20-15(12)16(22-10)17(25)24-18-21-8-11(2)23-18/h3-9,20H,1-2H3,(H2,21,23,24,25)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization