saccharin   Click here for help

GtoPdb Ligand ID: 5432

Synonyms: benzosulfimide | saccharimide
PDB Ligand
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 71.62
Molecular weight 183
XLogP 0.45
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C1NS(=O)(=O)c2c1cccc2
Isomeric SMILES O=C1NS(=O)(=O)c2c1cccc2
InChI InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
InChI Key CVHZOJJKTDOEJC-UHFFFAOYSA-N
Ligand mentioned in the following text fields