Molecule ID: mol35330

SMILES: Cc1cc(Br)c(O)c2[n+]1C(C(=O)O)CS2

InChI: InChI=1S/C9H8BrNO3S/c1-4-2-5(10)7(12)8-11(4)6(3-15-8)9(13)14/h2,6H,3H2,1H3,(H-,12,13,14)/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization