Molecule ID: mol16824

SMILES: CCn1ccnc1-c1c[nH]c2c(C(=O)Nc3ccn(C)n3)nc(C)cc12

InChI: InChI=1S/C18H19N7O/c1-4-25-8-6-19-17(25)13-10-20-15-12(13)9-11(2)21-16(15)18(26)22-14-5-7-24(3)23-14/h5-10,20H,4H2,1-3H3,(H,22,23,26)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization