Molecule ID: mol12779

SMILES: c1ccc(Nc2nccs2)cc1

InChI: InChI=1S/C9H8N2S/c1-2-4-8(5-3-1)11-9-10-6-7-12-9/h1-7H,(H,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization