Molecule ID: mol26955

SMILES: O=C1CCC(O)=C1NC(=O)c1ccccc1

InChI: InChI=1S/C12H11NO3/c14-9-6-7-10(15)11(9)13-12(16)8-4-2-1-3-5-8/h1-5,14H,6-7H2,(H,13,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization