Molecule ID: mol9488

SMILES: O=C(O)c1cc(Br)c[nH]1

InChI: InChI=1S/C5H4BrNO2/c6-3-1-4(5(8)9)7-2-3/h1-2,7H,(H,8,9)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.06 IUPAC digitized pKa 0 » -1
4.06 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization