Molecule ID: mol26005

SMILES: Cn1nnc(-c2cccc(Br)c2)n1

InChI: InChI=1S/C8H7BrN4/c1-13-11-8(10-12-13)6-3-2-4-7(9)5-6/h2-5H,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-3.89 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization