Molecule ID: mol24592

SMILES: CN1CCN(c2ncccn2)CC1

InChI: InChI=1S/C9H14N4/c1-12-5-7-13(8-6-12)9-10-3-2-4-11-9/h2-4H,5-8H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization