| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 98ADB2UZ6G |
| EPA CompTox | DTXSID6044939 |
Structure
| InChI Key | NMPPAMFEYWGNCI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H7Br3O1 |
| Molecular Weight | 355.8 |
| AlogP | 4.29 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 9.23 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 41424-36-6 |
| NORMAN SUSDAT | |
| FDA SRS | 98ADB2UZ6G |
| PubChem | 5067511 |
| ChemSpider | 4244381.0 |
CONTENTS
