Molecule ID: mol10753

SMILES: O=C(O)C[S+]([O-])c1cccc(Br)c1

InChI: InChI=1S/C8H7BrO3S/c9-6-2-1-3-7(4-6)13(12)5-8(10)11/h1-4H,5H2,(H,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization