Molecule ID: mol26130

SMILES: Clc1cc(Br)cc2ncccc12

InChI: InChI=1S/C9H5BrClN/c10-6-4-8(11)7-2-1-3-12-9(7)5-6/h1-5H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization