Molecule ID: mol37770

SMILES: CNC(=N)c1nc[nH]c1N

InChI: InChI=1S/C5H9N5/c1-8-4(6)3-5(7)10-2-9-3/h2H,7H2,1H3,(H2,6,8)(H,9,10)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.50 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization