| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | S410LLV7AF |
| EPA CompTox | DTXSID0044739 |
Structure
| InChI Key | HWLDAZMGMQYWGW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H12Cl1N1O4 |
| Molecular Weight | 245.05 |
| AlogP | 3.05 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 61.6 |
| Heavy Atoms | 16.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 91-43-0 |
| NORMAN SUSDAT | |
| FDA SRS | S410LLV7AF |
| PubChem | 66675 |
| ChemSpider | 60041.0 |
CONTENTS
