Molecule ID: mol14427

SMILES: CCOC(=O)C(Cc1ccccc1)C(C)=O

InChI: InChI=1S/C13H16O3/c1-3-16-13(15)12(10(2)14)9-11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
11.80 QSARToolbox 0 » -1
11.81 Datawarrior 0 » -1
11.81 OCHEM 0 » -1
11.81 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization