Molecule ID: SM43

SMILES: CN(C)S(=O)(=O)Nc1cc(-c2ccccc2)on1

InChI: InChI=1S/C11H13N3O3S/c1-14(2)18(15,16)13-11-8-10(17-12-11)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,12,13)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.62 SAMPL7 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization