Molecule ID: mol25203

SMILES: O[n+]1cc(Br)cc(Br)c1

InChI: InChI=1S/C5H4Br2NO/c6-4-1-5(7)3-8(9)2-4/h1-3,9H/q+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-0.85 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization