Molecule ID: mol8158

SMILES: CC1=Nc2nccnc2CN1

InChI: InChI=1S/C7H8N4/c1-5-10-4-6-7(11-5)9-3-2-8-6/h2-3H,4H2,1H3,(H,9,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization