Molecule ID: mol15119

SMILES: O=C1OC2C3CC4C2C4(C(=O)O)C13Br

InChI: InChI=1S/C9H7BrO4/c10-9-3-1-2-4(5(3)14-7(9)13)8(2,9)6(11)12/h2-5H,1H2,(H,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization