| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 7S3L399U68 |
| EPA CompTox | DTXSID2063505 |
Structure
| InChI Key | AOUSBQVEVZBMNI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H9Br1O2 |
| Molecular Weight | 191.98 |
| AlogP | 1.5 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 4513-56-8 |
| NORMAN SUSDAT | |
| FDA SRS | 7S3L399U68 |
| PubChem | 78271 |
| ChemSpider | 70643.0 |
CONTENTS
