| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID60339924 |
Structure
| InChI Key | VMAKIQSICJHVNP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H13Br1O2 |
| Molecular Weight | 208.01 |
| AlogP | 1.92 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 18.46 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 24400-75-7 |
| NORMAN SUSDAT | |
| PubChem | 560054 |
| ChemSpider | 486854.0 |
CONTENTS
