| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | R5329R4DGY |
| EPA CompTox | DTXSID30176924 |
Structure
| InChI Key | RQGBFVLTFYRYKB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H17N1 |
| Molecular Weight | 127.14 |
| AlogP | 1.79 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 12.03 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 22398-09-0 |
| NORMAN SUSDAT | |
| FDA SRS | R5329R4DGY |
| PubChem | 31169 |
| ChemSpider | 28913.0 |
CONTENTS
