Molecule ID: mol2746

SMILES: O=C1CCC(=O)C1C(=O)C1CC1

InChI: InChI=1S/C9H10O3/c10-6-3-4-7(11)8(6)9(12)5-1-2-5/h5,8H,1-4H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization