Molecule ID: mol13417

SMILES: Nc1ccc([I+]c2ccccc2)cc1

InChI: InChI=1S/C12H11IN/c14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9H,14H2/q+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.66 QSARToolbox 2 » 1
1.66 Datawarrior 2 » 1
1.66 OCHEM 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization