| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | EK76W4J89B |
| EPA CompTox | DTXSID70175451 |
Structure
| InChI Key | ATKFMEGWDYLXBP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H7Cl3O2 |
| Molecular Weight | 239.95 |
| AlogP | 3.02 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 29.46 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2122-77-2 |
| NORMAN SUSDAT | |
| FDA SRS | EK76W4J89B |
| PubChem | 16462 |
| ChemSpider | 15606.0 |
CONTENTS
