Molecule ID: mol37995

SMILES: C[S+](C)c1c(Br)cc(O)cc1Br

InChI: InChI=1S/C8H8Br2OS/c1-12(2)8-6(9)3-5(11)4-7(8)10/h3-4H,1-2H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization