Molecule ID: mol31462

SMILES: O=S(=O)(NO)c1ccc(Br)cc1

InChI: InChI=1S/C6H6BrNO3S/c7-5-1-3-6(4-2-5)12(10,11)8-9/h1-4,8-9H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization