Molecule ID: euroSAMPL-07

SMILES: Br.Cc1ccc(-c2csc(N)n2)cc1

InChI: InChI=1S/C10H10N2S.BrH/c1-7-2-4-8(5-3-7)9-6-13-10(11)12-9;/h2-6H,1H3,(H2,11,12);1H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization