Molecule ID: mol7098

SMILES: CNc1ncnc(C)c1N

InChI: InChI=1S/C6H10N4/c1-4-5(7)6(8-2)10-3-9-4/h3H,7H2,1-2H3,(H,8,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization