| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | FDN17EXK1J |
| EPA CompTox | DTXSID60864786 |
Structure
| InChI Key | JLEJCNOTNLZCHQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H7Cl1O2 |
| Molecular Weight | 122.01 |
| AlogP | 0.79 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 17639-93-9 |
| NORMAN SUSDAT | |
| FDA SRS | FDN17EXK1J |
| PubChem | 28659 |
| ChemSpider | 26656.0 |
CONTENTS
