Molecule ID: mol18338

SMILES: O=C(c1ccc(NC2=NCCN2)cc1)c1ccc(NC2=NCCN2)cc1

InChI: InChI=1S/C19H20N6O/c26-17(13-1-5-15(6-2-13)24-18-20-9-10-21-18)14-3-7-16(8-4-14)25-19-22-11-12-23-19/h1-8H,9-12H2,(H2,20,21,24)(H2,22,23,25)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization