Molecule ID: mol2704

SMILES: O=C1CCCC(=O)C1C(=O)c1ccccc1[N+](=O)[O-]

InChI: InChI=1S/C13H11NO5/c15-10-6-3-7-11(16)12(10)13(17)8-4-1-2-5-9(8)14(18)19/h1-2,4-5,12H,3,6-7H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.60 Caine 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization