Molecule ID: mol18469

SMILES: c1cc(NC2=NCCN2)ccc1CCc1ccc(NC2=NCCN2)cc1

InChI: InChI=1S/C20H24N6/c1(15-3-7-17(8-4-15)25-19-21-11-12-22-19)2-16-5-9-18(10-6-16)26-20-23-13-14-24-20/h3-10H,1-2,11-14H2,(H2,21,22,25)(H2,23,24,26)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
10.71 Baltruschat ChEMBL 1 » 0
10.71 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization