Molecule ID: mol4081

SMILES: CN(C)c1ccnc(N)n1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization