Molecule ID: mol7096

SMILES: CNc1c(C)ncnc1N

InChI: InChI=1S/C6H10N4/c1-4-5(8-2)6(7)10-3-9-4/h3,8H,1-2H3,(H2,7,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization