Molecule ID: mol37424

SMILES: CC(=O)N[C@@H](CSc1ccc(Br)cc1)C(=O)O

InChI: InChI=1S/C11H12BrNO3S/c1-7(14)13-10(11(15)16)6-17-9-4-2-8(12)3-5-9/h2-5,10H,6H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.81 QSARToolbox 0 » -1
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Charge States and Microspecies Visualization