Molecule ID: mol4841

SMILES: Cc1ncnc2c1NCCN2

InChI: InChI=1S/C7H10N4/c1-5-6-7(11-4-10-5)9-3-2-8-6/h4,8H,2-3H2,1H3,(H,9,10,11)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.71 IUPAC digitized pKa 1 » 0
6.74 QSARToolbox 1 » 0
6.74 OCHEM 1 » 0
6.74 Datawarrior 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization