Molecule ID: mol27489

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

InChI: InChI=1S/C12H7N3O6/c16-12(9-3-1-2-6-13-9)21-11-5-4-8(14(17)18)7-10(11)15(19)20/h1-7H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization