| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | E5OX6GM11E |
| EPA CompTox | DTXSID3024316 |
Structure
| InChI Key | HBPDKDSFLXWOAE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H16N4O1S1 |
| Molecular Weight | 228.1 |
| AlogP | 1.82 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 61.61 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 34014-18-1 |
| NORMAN SUSDAT | |
| FDA SRS | E5OX6GM11E |
| PubChem | 5383 |
| ChemSpider | 5190.0 |
CONTENTS
