Molecule ID: mol7007

SMILES: CNc1nc(N)ncc1Br

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization