Molecule ID: mol26229

SMILES: C[n+]1c(N)cnc2c(O)ncnc21

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization