| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | U611CGM1FW |
| EPA CompTox | DTXSID4042202 |
Structure
| InChI Key | VFBSFSGHILWWIJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H8Br1N1O4 |
| Molecular Weight | 224.96 |
| AlogP | 0.75 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 61.6 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 53983-00-9 |
| NORMAN SUSDAT | |
| FDA SRS | U611CGM1FW |
| PubChem | 40955 |
| ChemSpider | 37393.0 |
CONTENTS
