Molecule ID: mol4064

SMILES: CNc1nc(N)cc(Cl)n1

InChI: InChI=1S/C5H7ClN4/c1-8-5-9-3(6)2-4(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
3.79 IUPAC digitized pKa 1 » 0
3.81 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization