| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID801006497 |
Structure
| InChI Key | XQQFETKFPSFQAX-RXMQYKEDSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H13N3O2S |
| Molecular Weight | 191.07 |
| AlogP | 0.52 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 102.69 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 85909-35-9 |
| NORMAN SUSDAT | |
| PubChem | 21149660 |
CONTENTS
