Molecule ID: mol36961

SMILES: O=C(O)c1cc(Br)ccc1CO

InChI: InChI=1S/C8H7BrO3/c9-6-2-1-5(4-10)7(3-6)8(11)12/h1-3,10H,4H2,(H,11,12)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.45 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization