| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 3G598E5OYA |
| EPA CompTox | DTXSID3058456 |
Structure
| InChI Key | JUIKUQOUMZUFQT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C2H4Br1N1O1 |
| Molecular Weight | 136.95 |
| AlogP | 0.92 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 44.08 |
| Heavy Atoms | 5.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 683-57-8 |
| NORMAN SUSDAT | |
| FDA SRS | 3G598E5OYA |
| PubChem | 69632 |
| ChemSpider | 62834.0 |
CONTENTS
