Molecule ID: mol26231

SMILES: C[n+]1c(O)nc(N)c2nccnc21

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization