Molecule ID: SM42

SMILES: O=S(=O)(Nc1cc(-c2ccccc2)on1)c1ccccc1

InChI: InChI=1S/C15H12N2O3S/c18-21(19,13-9-5-2-6-10-13)17-15-11-14(20-16-15)12-7-3-1-4-8-12/h1-11H,(H,16,17)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization