Molecule ID: mol25816

SMILES: O=C(c1ccccc1)c1ncc([N+](=O)[O-])cn1

InChI: InChI=1S/C11H7N3O3/c15-10(8-4-2-1-3-5-8)11-12-6-9(7-13-11)14(16)17/h1-7H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization