Molecule ID: mol8176

SMILES: CN(C)c1ncnc2ncc(O)nc12

InChI: InChI=1S/C8H9N5O/c1-13(2)8-6-7(10-4-11-8)9-3-5(14)12-6/h3-4H,1-2H3,(H,12,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization