Molecule ID: mol37204

SMILES: O=C(NCc1ccc(S(=O)(=O)O)cc1)C(=S)NCc1ccc(S(=O)(=O)O)cc1

InChI: InChI=1S/C16H16N2O7S3/c19-15(17-9-11-1-5-13(6-2-11)27(20,21)22)16(26)18-10-12-3-7-14(8-4-12)28(23,24)25/h1-8H,9-10H2,(H,17,19)(H,18,26)(H,20,21,22)(H,23,24,25)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
11.67 QSARToolbox -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization