Molecule ID: mol16653

SMILES: CN1CCC=C(c2nc(-c3cn(C)c4ccccc34)no2)C1

InChI: InChI=1S/C17H18N4O/c1-20-9-5-6-12(10-20)17-18-16(19-22-17)14-11-21(2)15-8-4-3-7-13(14)15/h3-4,6-8,11H,5,9-10H2,1-2H3

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