Molecule ID: mol25891

SMILES: Cn1nnc(-c2ccccc2)n1

InChI: InChI=1S/C8H8N4/c1-12-10-8(9-11-12)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
-3.27 AttenGpKa training set 1 » 0
3.15 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization