Molecule ID: mol13598

SMILES: CN(C)c1ncc(Br)s1

InChI: InChI=1S/C5H7BrN2S/c1-8(2)5-7-3-4(6)9-5/h3H,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization