Molecule ID: mol2730

SMILES: O=C1CC(=O)CC(c2ccco2)C1

InChI: InChI=1S/C10H10O3/c11-8-4-7(5-9(12)6-8)10-2-1-3-13-10/h1-3,7H,4-6H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization