| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | AN2RT8NG93 |
| EPA CompTox | DTXSID10211468 |
Structure
| InChI Key | SFCCOHHWKRVDHH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H9Br1O1 |
| Molecular Weight | 211.98 |
| AlogP | 3.04 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 62403-86-5 |
| NORMAN SUSDAT | |
| FDA SRS | AN2RT8NG93 |
| PubChem | 6454392 |
| ChemSpider | 4956714.0 |
CONTENTS
