Molecule ID: mol19327

SMILES: O=C(CCCCO[N+](=O)[O-])Oc1ccccc1C(=O)O

InChI: InChI=1S/C12H13NO7/c14-11(7-3-4-8-19-13(17)18)20-10-6-2-1-5-9(10)12(15)16/h1-2,5-6H,3-4,7-8H2,(H,15,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization