Molecule ID: mol25398

SMILES: Cn1nnnc1-c1ccccc1

InChI: InChI=1S/C8H8N4/c1-12-8(9-10-11-12)7-5-3-2-4-6-7/h2-6H,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-2.41 AttenGpKa training set 1 » 0
2.50 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization