| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 78CLH7Z88F |
| EPA CompTox | DTXSID00176133 |
Structure
| InChI Key | RBCPJQQJBAQSOU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H4Br1Cl1O2 |
| Molecular Weight | 233.91 |
| AlogP | 2.8 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 37.3 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 21739-93-5 |
| NORMAN SUSDAT | |
| FDA SRS | 78CLH7Z88F |
| PubChem | 89027 |
| ChemSpider | 80332.0 |
CONTENTS
