Molecule ID: mol24043

SMILES: O=[N+]([O-])c1ccc(N2CCOCC2)c([N+](=O)[O-])c1

InChI: InChI=1S/C10H11N3O5/c14-12(15)8-1-2-9(10(7-8)13(16)17)11-3-5-18-6-4-11/h1-2,7H,3-6H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-2.21 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization