| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | MCO6PW23BT |
| EPA CompTox | DTXSID90861642 |
Structure
| InChI Key | YAQLSKVCTLCIIE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H7BrO2 |
| Molecular Weight | 165.96 |
| AlogP | 1.24 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 37.3 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 80-58-0 |
| NORMAN SUSDAT | |
| FDA SRS | MCO6PW23BT |
| PubChem | 6655 |
CONTENTS
