Molecule ID: mol12851

SMILES: Cn1c(=NN)sc2ccccc21

InChI: InChI=1S/C8H9N3S/c1-11-6-4-2-3-5-7(6)12-8(11)10-9/h2-5H,9H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization