| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | N19SE3QCFN |
| EPA CompTox | DTXSID8023927 |
Structure
| InChI Key | JDUYPUMQALQRCN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H9Br1O1 |
| Molecular Weight | 247.98 |
| AlogP | 4.24 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 9.23 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 101-55-3 |
| NORMAN SUSDAT | |
| FDA SRS | N19SE3QCFN |
| PubChem | 7565 |
| ChemSpider | 7284.0 |
CONTENTS
