Molecule ID: mol26413

SMILES: CNCc1cnc2ccccn12

InChI: InChI=1S/C9H11N3/c1-10-6-8-7-11-9-4-2-3-5-12(8)9/h2-5,7,10H,6H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.69 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization