Molecule ID: mol11826

SMILES: O=C(O)c1ccc(C23CCCC2C3)cc1

InChI: InChI=1S/C13H14O2/c14-12(15)9-3-5-10(6-4-9)13-7-1-2-11(13)8-13/h3-6,11H,1-2,7-8H2,(H,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization