| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 7T4GP6WW3A |
| EPA CompTox | DTXSID80240866 |
Structure
| InChI Key | VMINURGQAACCBR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H9Br1O4 |
| Molecular Weight | 211.97 |
| AlogP | -0.72 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 66.76 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 94159-36-1 |
| NORMAN SUSDAT | |
| FDA SRS | 7T4GP6WW3A |
| PubChem | 16206033 |
| ChemSpider | 2289910.0 |
CONTENTS
