Molecule ID: mol24466

SMILES: NCCNCN

InChI: InChI=1S/C3H11N3/c4-1-2-6-3-5/h6H,1-5H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.60 AttenGpKa training set 3 » 2
7.90 AttenGpKa training set 2 » 1
9.50 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization