Molecule ID: mol4737

SMILES: Cc1nc(N)nc2nccnc12

InChI: InChI=1S/C7H7N5/c1-4-5-6(10-3-2-9-5)12-7(8)11-4/h2-3H,1H3,(H2,8,10,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization