| Keyword(s): | Natural Toxins |
| Molecule Category | Free-form |
| UNII | 7I4L2D0E9G |
| EPA CompTox | DTXSID801020639 |
Structure
| InChI Key | XUHLIQGRKRUKPH-DYEAUMGKSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H11NO3S |
| Molecular Weight | 177.05 |
| AlogP | -0.67 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 80.39 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 556-27-4 |
| NORMAN SUSDAT | |
| FDA SRS | 7I4L2D0E9G |
| PubChem | 51380903 |
| ChemSpider | 7850537.0 |
CONTENTS
