Molecule ID: mol34155

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

InChI: InChI=1S/C8H6Br3NO3/c9-8(10,11)7(13)5-2-1-3-6(4-5)12(14)15/h1-4,7,13H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization