Molecule ID: mol4108

SMILES: CNc1cc(NC)ncn1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization