Molecule ID: mol16822

SMILES: Cc1cc2c(-c3ccccn3)c[nH]c2c(C(=O)Nc2ccn(C)n2)n1

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

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.60 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization