| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | A39U4JZZ23 |
| EPA CompTox | DTXSID2073566 |
Structure
| InChI Key | GXIQQLXFFZDGHO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H17ClO |
| Molecular Weight | 176.1 |
| AlogP | 3.36 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 57077-36-8 |
| NORMAN SUSDAT | |
| FDA SRS | A39U4JZZ23 |
| PubChem | 92654 |
CONTENTS
