Molecule ID: mol7001

SMILES: CN(C)c1nc(N)ncc1Br

InChI: InChI=1S/C6H9BrN4/c1-11(2)5-4(7)3-9-6(8)10-5/h3H,1-2H3,(H2,8,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization