Molecule ID: mol7991

SMILES: O=C1CNC2=NCCCN12

InChI: InChI=1S/C6H9N3O/c10-5-4-8-6-7-2-1-3-9(5)6/h1-4H2,(H,7,8)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization