Molecule ID: mol26050

SMILES: Brc1ccc(-n2nnnc2-c2nnnn2-c2ccc(Br)cc2)cc1

InChI: InChI=1S/C14H8Br2N8/c15-9-1-5-11(6-2-9)23-13(17-19-21-23)14-18-20-22-24(14)12-7-3-10(16)4-8-12/h1-8H

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-7.85 AttenGpKa training set 4 » 3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization