Molecule ID: mol37569

SMILES: O=C1C(Br)=CC(=C(c2ccc(O)c(Br)c2)c2ccccc2S(=O)(=O)O)C=C1Br

InChI: InChI=1S/C19H11Br3O5S/c20-13-7-10(5-6-16(13)23)18(11-8-14(21)19(24)15(22)9-11)12-3-1-2-4-17(12)28(25,26)27/h1-9,23H,(H,25,26,27)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.10 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization