Molecule ID: SM07

SMILES: c1ccc(CNc2ncnc3ccccc23)cc1

InChI: InChI=1S/C15H13N3/c1-2-6-12(7-3-1)10-16-15-13-8-4-5-9-14(13)17-11-18-15/h1-9,11H,10H2,(H,16,17,18)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.08 SAMPL6 1 » 0
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Charge States and Microspecies Visualization