Molecule ID: mol13309

SMILES: CCOC(=O)c1cc(C)[n+](O)c(C)c1

InChI: InChI=1S/C10H14NO3/c1-4-14-10(12)9-5-7(2)11(13)8(3)6-9/h5-6,13H,4H2,1-3H3/q+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-0.13 Datawarrior 1 » 0
-0.13 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization