Molecule ID: mol29392

SMILES: O=C(O)C1CSC(c2cc(Br)ccc2O)N1

InChI: InChI=1S/C10H10BrNO3S/c11-5-1-2-8(13)6(3-5)9-12-7(4-16-9)10(14)15/h1-3,7,9,12-13H,4H2,(H,14,15)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.54 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization