Molecule ID: SM09

SMILES: COc1cccc(Nc2ncnc3ccccc23)c1.Cl

InChI: InChI=1S/C15H13N3O.ClH/c1-19-12-6-4-5-11(9-12)18-15-13-7-2-3-8-14(13)16-10-17-15;/h2-10H,1H3,(H,16,17,18);1H

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.37 SAMPL6 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization