Molecule ID: mol30656

SMILES: O=C1CCCc2cc([N+](=O)[O-])cc(O)c21

InChI: InChI=1S/C10H9NO4/c12-8-3-1-2-6-4-7(11(14)15)5-9(13)10(6)8/h4-5,13H,1-3H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization