Molecule ID: mol7016

SMILES: CN(C)c1nc(N)cc(Cl)n1

InChI: InChI=1S/C6H9ClN4/c1-11(2)6-9-4(7)3-5(8)10-6/h3H,1-2H3,(H2,8,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization