Molecule ID: mol38014

SMILES: c1ccc(-c2nnn[nH]2)nc1

InChI: InChI=1S/C6H5N5/c1-2-4-7-5(3-1)6-8-10-11-9-6/h1-4H,(H,8,9,10,11)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.35 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization