Molecule ID: mol37019

SMILES: C[N+](C)(C)c1cc(Br)ccc1O

InChI: InChI=1S/C9H12BrNO/c1-11(2,3)8-6-7(10)4-5-9(8)12/h4-6H,1-3H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization