| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID80166517 |
Structure
| InChI Key | QXCPBNVAQSUDRV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C2H5Cl1O2 |
| Molecular Weight | 96.0 |
| AlogP | -0.46 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 40.46 |
| Heavy Atoms | 5.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 15873-56-0 |
| NORMAN SUSDAT | |
| PubChem | 85157 |
| ChemSpider | 76803.0 |
CONTENTS
