| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID30959996 |
Structure
| InChI Key | NNWWOIPEHSLORU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H12BrNO |
| Molecular Weight | 193.01 |
| AlogP | 1.25 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 20.31 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 39221-60-8 |
| NORMAN SUSDAT | |
| PubChem | 3016061 |
CONTENTS
