| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | KD2YCE83WU |
| EPA CompTox | DTXSID80188299 |
Structure
| InChI Key | QYIOGYCRGNHDNK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H9Br1O2 |
| Molecular Weight | 215.98 |
| AlogP | 1.82 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 29.46 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 34743-88-9 |
| NORMAN SUSDAT | |
| FDA SRS | KD2YCE83WU |
| PubChem | 99168 |
| ChemSpider | 89590.0 |
CONTENTS
