Molecule ID: mol35553

SMILES: C=CCNc1nc(N)nc(N)n1

InChI: InChI=1S/C6H10N6/c1-2-3-9-6-11-4(7)10-5(8)12-6/h2H,1,3H2,(H5,7,8,9,10,11,12)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.80 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization