| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 7RP8WM3PHM |
| EPA CompTox | DTXSID70205626 |
Structure
| InChI Key | XSNHMPFGJLEOTP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H8Br2O1 |
| Molecular Weight | 277.89 |
| AlogP | 3.48 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 57018-12-9 |
| NORMAN SUSDAT | |
| FDA SRS | 7RP8WM3PHM |
| PubChem | 92626 |
| ChemSpider | 83618.0 |
CONTENTS
