| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID30223008 |
Structure
| InChI Key | NOOYFQLPKUQDNE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H5Br1O2 |
| Molecular Weight | 163.95 |
| AlogP | 1.02 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 37.3 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 72707-66-5 |
| NORMAN SUSDAT | |
| PubChem | 558884 |
| ChemSpider | 485840.0 |
CONTENTS
