| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | FTK27HHL2M |
| EPA CompTox | DTXSID60201450 |
Structure
| InChI Key | AFPSETMCMFRVPG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H7Cl1O2 |
| Molecular Weight | 158.01 |
| AlogP | 1.54 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 40.46 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 5330-38-1 |
| NORMAN SUSDAT | |
| FDA SRS | FTK27HHL2M |
| PubChem | 79238 |
| ChemSpider | 71563.0 |
CONTENTS
