| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | TY5MHP7WUL |
| EPA CompTox | DTXSID30183517 |
Structure
| InChI Key | QDONGIRJVISTFJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H15Cl1O4 |
| Molecular Weight | 222.07 |
| AlogP | 1.5 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 52.6 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 29263-83-0 |
| NORMAN SUSDAT | |
| FDA SRS | TY5MHP7WUL |
| PubChem | 121803 |
| ChemSpider | 108674.0 |
CONTENTS
