| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 1X6JV2NE2N |
| EPA CompTox | DTXSID5041805 |
Structure
| InChI Key | LRNJHZNPJSPMGK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C15H14N1O2P1S1 |
| Molecular Weight | 303.05 |
| AlogP | 3.61 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 42.25 |
| Heavy Atoms | 20.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 13067-93-1 |
| NORMAN SUSDAT | |
| FDA SRS | 1X6JV2NE2N |
| PubChem | 25669 |
| ChemSpider | 23911.0 |
CONTENTS
