Molecule ID: mol4714

SMILES: Cn1c(N)nc(=O)c2nccnc21

InChI: InChI=1S/C7H7N5O/c1-12-5-4(9-2-3-10-5)6(13)11-7(12)8/h2-3H,1H3,(H2,8,11,13)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.80 IUPAC digitized pKa 1 » 0
2.86 IUPAC digitized pKa 1 » 0
2.86 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization