| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID50308321 |
Structure
| InChI Key | URFKLQSFBXBOQU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H17Cl1O3 |
| Molecular Weight | 196.09 |
| AlogP | 1.99 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 27.69 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 51076-95-0 |
| NORMAN SUSDAT | |
| PubChem | 305922 |
| ChemSpider | 270472.0 |
CONTENTS
