| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | VN4H7899AA |
| EPA CompTox | DTXSID60209971 |
Structure
| InChI Key | NAGGYODWMPFKJQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H4Br2O2 |
| Molecular Weight | 277.86 |
| AlogP | 2.91 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 37.3 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 611-00-7 |
| NORMAN SUSDAT | |
| FDA SRS | VN4H7899AA |
| PubChem | 11896 |
| ChemSpider | 11403.0 |
CONTENTS
