Molecule ID: mol7097

SMILES: CNc1nc(C)ncc1N

InChI: InChI=1S/C6H10N4/c1-4-9-3-5(7)6(8-2)10-4/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
7.40 IUPAC digitized pKa 1 » 0
7.45 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization