Molecule ID: mol33676

SMILES: CCCCc1c(C)nc(N)nc1N

InChI: InChI=1S/C9H16N4/c1-3-4-5-7-6(2)12-9(11)13-8(7)10/h3-5H2,1-2H3,(H4,10,11,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization