Molecule ID: mol25371

SMILES: Cc1nc(N)c([N+](=O)[O-])n1C

InChI: InChI=1S/C5H8N4O2/c1-3-7-4(6)5(8(3)2)9(10)11/h6H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization