Molecule ID: mol12381

SMILES: Cn1ccnc1CS

InChI: InChI=1S/C5H8N2S/c1-7-3-2-6-5(7)4-8/h2-3,8H,4H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.31 OCHEM 1 » 0
6.31 QSARToolbox 1 » 0
6.31 Datawarrior 1 » 0
8.88 Datawarrior 0 » -1
8.88 OCHEM 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization