Molecule ID: mol16026

SMILES: Nc1ncc(Br)s1

InChI: InChI=1S/C3H3BrN2S/c4-2-1-6-3(5)7-2/h1H,(H2,5,6)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization