| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 83PP1OU7BQ |
| EPA CompTox | DTXSID2021527 |
Structure
| InChI Key | XKEHIUIIEXXHJX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H9Cl1O1 |
| Molecular Weight | 108.03 |
| AlogP | 0.99 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 6.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 563-84-8 |
| NORMAN SUSDAT | |
| FDA SRS | 83PP1OU7BQ |
CONTENTS
