Molecule ID: mol4308

SMILES: Cc1cccc(-n2nnnc2N)c1

InChI: InChI=1S/C8H9N5/c1-6-3-2-4-7(5-6)13-8(9)10-11-12-13/h2-5H,1H3,(H2,9,10,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization