| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 4PG7LM4DBF |
| EPA CompTox | DTXSID8052699 |
Structure
| InChI Key | GRHQDJDRGZFIPO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H7Br1O2 |
| Molecular Weight | 165.96 |
| AlogP | 1.25 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 37.3 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2623-87-2 |
| NORMAN SUSDAT | |
| FDA SRS | 4PG7LM4DBF |
| PubChem | 75809 |
| ChemSpider | 68318.0 |
CONTENTS
