Molecule ID: mol38163

SMILES: CCN(CC)S(=O)(=O)c1cc2c(S)c3ccccc3nc2cc1Cl

InChI: InChI=1S/C17H17ClN2O2S2/c1-3-20(4-2)24(21,22)16-9-12-15(10-13(16)18)19-14-8-6-5-7-11(14)17(12)23/h5-10H,3-4H2,1-2H3,(H,19,23)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.86 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization