Molecule ID: mol35162

SMILES: CCC1(CC)C(=O)NC(=O)N(C(=O)c2ccccc2Br)C1=O

InChI: InChI=1S/C15H15BrN2O4/c1-3-15(4-2)12(20)17-14(22)18(13(15)21)11(19)9-7-5-6-8-10(9)16/h5-8H,3-4H2,1-2H3,(H,17,20,22)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization