Molecule ID: mol4712

SMILES: Cn1ccnc2c(N)nc(=N)nc1-2

InChI: InChI=1S/C7H8N6/c1-13-3-2-10-4-5(8)11-7(9)12-6(4)13/h2-3H,1H3,(H3,8,9,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization