Molecule ID: mol7008

SMILES: CNc1ncc(Br)c(N)n1

InChI: InChI=1S/C5H7BrN4/c1-8-5-9-2-3(6)4(7)10-5/h2H,1H3,(H3,7,8,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization