| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | GF8BS53B6V |
| EPA CompTox | DTXSID7073937 |
Structure
| InChI Key | PTHGDVCPCZKZKR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H7Cl1O1 |
| Molecular Weight | 142.02 |
| AlogP | 1.83 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 873-76-7 |
| NORMAN SUSDAT | |
| FDA SRS | GF8BS53B6V |
| PubChem | 13397 |
| ChemSpider | 12823.0 |
CONTENTS
