Molecule ID: mol30711

SMILES: CCOC(=O)Oc1cc([N+](=O)[O-])ccc1O

InChI: InChI=1S/C9H9NO6/c1-2-15-9(12)16-8-5-6(10(13)14)3-4-7(8)11/h3-5,11H,2H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization