| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | T8D5ZJV264 |
| EPA CompTox | DTXSID80202247 |
Structure
| InChI Key | QJZNRCWAXUGABH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H9Cl1O2 |
| Molecular Weight | 136.03 |
| AlogP | 1.18 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 5396-24-7 |
| NORMAN SUSDAT | |
| FDA SRS | T8D5ZJV264 |
| PubChem | 79378 |
| ChemSpider | 71697.0 |
CONTENTS
