| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | F5J5J5448C |
| EPA CompTox | DTXSID80187146 |
Structure
| InChI Key | BDUBTLFQHNYXPC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H7Cl1O1 |
| Molecular Weight | 118.02 |
| AlogP | 1.72 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 3350-78-5 |
| NORMAN SUSDAT | |
| FDA SRS | F5J5J5448C |
| PubChem | 102394 |
| ChemSpider | 92484.0 |
CONTENTS
