| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | CL9TNF9G7X |
| EPA CompTox | DTXSID20174237 |
Structure
| InChI Key | YYFLBDSMQRWARK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H8Br1Cl1O1 |
| Molecular Weight | 233.94 |
| AlogP | 3.11 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 9.23 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2033-76-3 |
| NORMAN SUSDAT | |
| FDA SRS | CL9TNF9G7X |
| PubChem | 74854 |
| ChemSpider | 67419.0 |
CONTENTS
