| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 5KBQ4WLH7Z |
| EPA CompTox | DTXSID20188172 |
Structure
| InChI Key | WRGKKASJBOREMB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H3Br2N1O2 |
| Molecular Weight | 278.85 |
| AlogP | 3.12 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 43.14 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 3460-18-2 |
| NORMAN SUSDAT | |
| FDA SRS | 5KBQ4WLH7Z |
| PubChem | 77004 |
| ChemSpider | 69450.0 |
CONTENTS
