| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | CLZ3FU5MNM |
| EPA CompTox | DTXSID30177077 |
Structure
| InChI Key | RTCVXHVOOYCYNA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H7Cl2N1O3 |
| Molecular Weight | 282.98 |
| AlogP | 4.69 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 52.37 |
| Heavy Atoms | 18.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 22544-07-6 |
| NORMAN SUSDAT | |
| FDA SRS | CLZ3FU5MNM |
| PubChem | 89751 |
| ChemSpider | 81009.0 |
CONTENTS
