Molecule ID: mol25963

SMILES: Cn1nnc(-c2cccc([N+](=O)[O-])c2)n1

InChI: InChI=1S/C8H7N5O2/c1-12-10-8(9-11-12)6-3-2-4-7(5-6)13(14)15/h2-5H,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-3.99 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization