Molecule ID: mol25566

SMILES: O=[N+]([O-])c1cnc(I)[nH]1

InChI: InChI=1S/C3H2IN3O2/c4-3-5-1-2(6-3)7(8)9/h1H,(H,5,6)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization