Molecule ID: euroSAMPL-28

SMILES: Cn1ccnc1-c1cccnc1

InChI: InChI=1S/C9H9N3/c1-12-6-5-11-9(12)8-3-2-4-10-7-8/h2-7H,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.95 euroSAMPL1 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization