Molecule ID: mol16042

SMILES: NCc1nnn[nH]1

InChI: InChI=1S/C2H5N5/c3-1-2-4-6-7-5-2/h1,3H2,(H,4,5,6,7)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.62 QSARToolbox 1 » 0
2.62 OCHEM 1 » 0
2.62 Datawarrior 1 » 0
8.54 Datawarrior 0 » -1
8.54 OCHEM 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization