Molecule ID: mol27480

SMILES: O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccccn1

InChI: InChI=1S/C12H8N2O4/c15-12(11-3-1-2-8-13-11)18-10-6-4-9(5-7-10)14(16)17/h1-8H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization