| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | VH59MX94H3 |
| EPA CompTox | DTXSID8067363 |
Structure
| InChI Key | CVKOOKPNCVYHNY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H6Br1N1 |
| Molecular Weight | 194.97 |
| AlogP | 2.45 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 23.79 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 28188-41-2 |
| NORMAN SUSDAT | |
| FDA SRS | VH59MX94H3 |
| PubChem | 97249 |
| ChemSpider | 87776.0 |
CONTENTS
