Molecule ID: mol25509

SMILES: Nc1ccn(-c2cccc([N+](=O)[O-])c2)n1

InChI: InChI=1S/C9H8N4O2/c10-9-4-5-12(11-9)7-2-1-3-8(6-7)13(14)15/h1-6H,(H2,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization