| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 6PJY10R5MV |
| EPA CompTox | DTXSID5032579 |
Structure
| InChI Key | IVDRCZNHVGQBHZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H16Cl3N1O4 |
| Molecular Weight | 355.01 |
| AlogP | 3.78 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 57.65 |
| Heavy Atoms | 21.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 64700-56-7 |
| NORMAN SUSDAT | |
| FDA SRS | 6PJY10R5MV |
| PubChem | 47455 |
| ChemSpider | 43178.0 |
CONTENTS
