| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 3CL4OW5YKB |
| EPA CompTox | DTXSID50212691 |
Structure
| InChI Key | RMSOEGBYNWXXBG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H7Cl1O1 |
| Molecular Weight | 178.02 |
| AlogP | 3.2 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 633-99-8 |
| NORMAN SUSDAT | |
| FDA SRS | 3CL4OW5YKB |
| PubChem | 12459 |
| ChemSpider | 11949.0 |
CONTENTS
