Molecule ID: mol4176

SMILES: CN(C)c1ccncn1

InChI: InChI=1S/C6H9N3/c1-9(2)6-3-4-7-5-8-6/h3-5H,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.32 IUPAC digitized pKa 1 » 0
6.32 AttenGpKa training set 1 » 0
6.35 OCHEM 1 » 0
6.35 QSARToolbox 1 » 0
6.35 Datawarrior 1 » 0
6.37 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization