Molecule ID: mol27595

SMILES: OCCSC(=S)Nc1ccc(Br)cc1

InChI: InChI=1S/C9H10BrNOS2/c10-7-1-3-8(4-2-7)11-9(13)14-6-5-12/h1-4,12H,5-6H2,(H,11,13)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.93 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization