Molecule ID: mol31524

SMILES: CC(C)=CCC(=O)/C=N/O

InChI: InChI=1S/C7H11NO2/c1-6(2)3-4-7(9)5-8-10/h3,5,10H,4H2,1-2H3/b8-5+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization