Molecule ID: mol4297

SMILES: Nc1nnnn1Cc1ccccc1

InChI: InChI=1S/C8H9N5/c9-8-10-11-12-13(8)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization