| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 35RR5ARA06 |
| EPA CompTox | DTXSID5073456 |
Structure
| InChI Key | NATVVRFRJHJKDJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H11N3O1S1 |
| Molecular Weight | 161.06 |
| AlogP | -0.92 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 47.86 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 26957-73-3 |
| NORMAN SUSDAT | |
| FDA SRS | 35RR5ARA06 |
| PubChem | 731344 |
| ChemSpider | 183584.0 |
CONTENTS
