Molecule ID: mol12586

SMILES: CCC(=O)c1cc(C(C)=O)n[nH]1

InChI: InChI=1S/C8H10N2O2/c1-3-8(12)7-4-6(5(2)11)9-10-7/h4H,3H2,1-2H3,(H,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization