| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | VA5DA6ETV5 |
| EPA CompTox | DTXSID00208125 |
Structure
| InChI Key | MYCXCBCDXVFXNE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H7Cl1O2 |
| Molecular Weight | 122.01 |
| AlogP | 1.09 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 37.3 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 594-58-1 |
| NORMAN SUSDAT | |
| FDA SRS | VA5DA6ETV5 |
| PubChem | 68987 |
| ChemSpider | 62209.0 |
CONTENTS
