Molecule ID: mol4725

SMILES: Cc1cnc2c(C)nc(N)nc2n1

InChI: InChI=1S/C8H9N5/c1-4-3-10-6-5(2)12-8(9)13-7(6)11-4/h3H,1-2H3,(H2,9,11,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization