Molecule ID: mol17282

SMILES: O=C1CCC(O)=C1Cc1ccccc1

InChI: InChI=1S/C12H12O2/c13-11-6-7-12(14)10(11)8-9-4-2-1-3-5-9/h1-5,13H,6-8H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.44 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization