| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | MGR77M31ZW |
| EPA CompTox | DTXSID1062465 |
Structure
| InChI Key | CZQIJQFTRGDODI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H4Br1N1O1 |
| Molecular Weight | 196.95 |
| AlogP | 2.42 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 29.43 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2493-02-9 |
| NORMAN SUSDAT | |
| FDA SRS | MGR77M31ZW |
| PubChem | 75609 |
| ChemSpider | 68133.0 |
CONTENTS
