| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID30240457 |
Structure
| InChI Key | UVFRXPBXERGFTI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H10Br2O5 |
| Molecular Weight | 331.89 |
| AlogP | 0.22 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 72.83 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 94087-95-3 |
| NORMAN SUSDAT | |
| PubChem | 44144974 |
| ChemSpider | 21166657.0 |
CONTENTS
