| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | KRG35B7CQJ |
| EPA CompTox | DTXSID3068887 |
Structure
| InChI Key | XGCVFGOKEISJGC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H10Br2O1 |
| Molecular Weight | 339.91 |
| AlogP | 5.27 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 9.23 |
| Heavy Atoms | 16.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 53874-67-2 |
| NORMAN SUSDAT | |
| FDA SRS | KRG35B7CQJ |
| PubChem | 104630 |
| ChemSpider | 94460.0 |
CONTENTS
