Molecule ID: mol25459

SMILES: N#Cc1nn(-c2ccncc2)nc1N

InChI: InChI=1S/C8H6N6/c9-5-7-8(10)13-14(12-7)6-1-3-11-4-2-6/h1-4H,(H2,10,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization