| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | Q5NX52RUW3 |
| EPA CompTox | DTXSID00221733 |
Structure
| InChI Key | HKFKBQGYOFOVFH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H9Cl1N2O3 |
| Molecular Weight | 276.03 |
| AlogP | 3.88 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 75.73 |
| Heavy Atoms | 19.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 71501-31-0 |
| NORMAN SUSDAT | |
| FDA SRS | Q5NX52RUW3 |
| PubChem | 98684 |
| ChemSpider | 89125.0 |
CONTENTS
