| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | H9L3A68RC5 |
| EPA CompTox | DTXSID00240323 |
| InChI Key | FYEDZYLGISIBBQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C11H17Br1O4 |
| Molecular Weight | 292.03 |
| AlogP | 2.21 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 52.6 |
| Heavy Atoms | 16.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 94023-69-5 |
| NORMAN SUSDAT | |
| FDA SRS | H9L3A68RC5 |
| PubChem | 3023346 |
| ChemSpider | 2289581.0 |