| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 4U3MGR53CE |
| EPA CompTox | DTXSID30199133 |
Structure
| InChI Key | WMEBPQLEDFWBRX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H17Cl1O1 |
| Molecular Weight | 176.1 |
| AlogP | 3.07 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 51115-81-2 |
| NORMAN SUSDAT | |
| FDA SRS | 4U3MGR53CE |
| PubChem | 3016607 |
| ChemSpider | 2284530.0 |
CONTENTS
