| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | NKX296E7HN |
| EPA CompTox | DTXSID6068933 |
Structure
| InChI Key | QXQLGCVWRCXDKS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H7Br2N1 |
| Molecular Weight | 298.89 |
| AlogP | 3.95 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 26.02 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 54288-95-8 |
| NORMAN SUSDAT | |
| FDA SRS | NKX296E7HN |
| PubChem | 104716 |
| ChemSpider | 94535.0 |
CONTENTS
