Molecule ID: mol7220

SMILES: CNc1cc(Cl)nc(NC)n1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization