| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 4G86N0SVV3 |
| EPA CompTox | DTXSID60866063 |
Structure
| InChI Key | QMDJJUBPSFSPCR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H13ClO3 |
| Molecular Weight | 264.06 |
| AlogP | 3.43 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 35.53 |
| Heavy Atoms | 18.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 41791-49-5 |
| NORMAN SUSDAT | |
| FDA SRS | 4G86N0SVV3 |
| PubChem | 68665 |
CONTENTS
