| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | J96Q7F091K |
| EPA CompTox | DTXSID6042280 |
Structure
| InChI Key | XAMUDJHXFNRLCY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H17O4P1S2 |
| Molecular Weight | 320.03 |
| AlogP | 3.54 |
| Hydrogen Bond Acceptor | 6.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 44.76 |
| Heavy Atoms | 19.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2597-03-7 |
| NORMAN SUSDAT | |
| FDA SRS | J96Q7F091K |
| PubChem | 17435 |
| ChemSpider | 16492.0 |
CONTENTS
