| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | X8PRC43D9Q |
| EPA CompTox | DTXSID8049339 |
Structure
| InChI Key | JKOTZBXSNOGCIF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C15H31Br1 |
| Molecular Weight | 290.16 |
| AlogP | 6.47 |
| Number of Rotational Bond | 13.0 |
| Heavy Atoms | 16.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 629-72-1 |
| NORMAN SUSDAT | |
| FDA SRS | X8PRC43D9Q |
| PubChem | 12394 |
| ChemSpider | 11888.0 |
CONTENTS
