| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | Z8II7W6PNS |
| EPA CompTox | DTXSID50241002 |
Structure
| InChI Key | YJZYPZACUFTIIA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H8Br2O2 |
| Molecular Weight | 305.89 |
| AlogP | 3.23 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 37.3 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 94201-39-5 |
| NORMAN SUSDAT | |
| FDA SRS | Z8II7W6PNS |
| PubChem | 3023989 |
| ChemSpider | 2290019.0 |
CONTENTS
