Molecule ID: mol29021

SMILES: O=P(O)(O)Oc1ccc(Br)cc1

InChI: InChI=1S/C6H6BrO4P/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4H,(H2,8,9,10)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.44 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization