| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID90194982 |
Structure
| InChI Key | BHDSGQOSIWVMJW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H11Cl1O1 |
| Molecular Weight | 122.05 |
| AlogP | 1.65 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 9.23 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 42149-74-6 |
| NORMAN SUSDAT | |
| PubChem | 123506 |
| ChemSpider | 110101.0 |
CONTENTS
