Molecule ID: mol17096

SMILES: CC(C)C1=NC(C)(c2cccc(-c3cccnc3)c2)N=C1N

InChI: InChI=1S/C18H20N4/c1-12(2)16-17(19)22-18(3,21-16)15-8-4-6-13(10-15)14-7-5-9-20-11-14/h4-12H,1-3H3,(H2,19,22)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization