| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 3PGL46Y9GQ |
| EPA CompTox | DTXSID60149767 |
Structure
| InChI Key | YSXDKDWNIPOSMF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H9Cl1O2 |
| Molecular Weight | 136.03 |
| AlogP | 1.48 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 37.3 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1119-46-6 |
| NORMAN SUSDAT | |
| FDA SRS | 3PGL46Y9GQ |
| PubChem | 14244 |
| ChemSpider | 13606.0 |
CONTENTS
