| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | AZ789TZS4L |
| EPA CompTox | DTXSID3038690 |
Structure
| InChI Key | XRXMNWGCKISMOH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H5Br1O2 |
| Molecular Weight | 199.95 |
| AlogP | 2.15 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 37.3 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 88-65-3 |
| NORMAN SUSDAT | |
| FDA SRS | AZ789TZS4L |
| PubChem | 6940 |
| ChemSpider | 6674.0 |
CONTENTS
