Molecule ID: mol26903

SMILES: COC(=O)CC(=O)c1ccc[n+](C)c1

InChI: InChI=1S/C10H12NO3/c1-11-5-3-4-8(7-11)9(12)6-10(13)14-2/h3-5,7H,6H2,1-2H3/q+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization