Molecule ID: mol38541

SMILES: CCC(C)n1c(=O)[nH]c(C)c(Br)c1=O

InChI: InChI=1S/C9H13BrN2O2/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14/h5H,4H2,1-3H3,(H,11,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization