Molecule ID: mol25718

SMILES: CNC(=O)c1ccncn1

InChI: InChI=1S/C6H7N3O/c1-7-6(10)5-2-3-8-4-9-5/h2-4H,1H3,(H,7,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization