Molecule ID: mol26517

SMILES: On1nnc2cc(Br)ccc21

InChI: InChI=1S/C6H4BrN3O/c7-4-1-2-6-5(3-4)8-9-10(6)11/h1-3,11H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization