Molecule ID: mol16820

SMILES: Cc1c[nH]c(NC(=O)c2nc(C)cc3cc[nH]c23)n1

InChI: InChI=1S/C13H13N5O/c1-7-5-9-3-4-14-10(9)11(16-7)12(19)18-13-15-6-8(2)17-13/h3-6,14H,1-2H3,(H2,15,17,18,19)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization