Molecule ID: mol26902

SMILES: COC(=O)CC(=O)c1cc[n+](C)cc1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization