Molecule ID: mol21255

SMILES: O=C(O)CCc1ccc(Br)cc1

InChI: InChI=1S/C9H9BrO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization