| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 95HKY59ZG6 |
| EPA CompTox | DTXSID9057846 |
Structure
| InChI Key | ISPVACVJFUIDPD-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H9Cl1F1N1O3 |
| Molecular Weight | 281.03 |
| AlogP | 2.83 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 59.3 |
| Heavy Atoms | 19.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 86393-33-1 |
| NORMAN SUSDAT | |
| FDA SRS | 95HKY59ZG6 |
| PubChem | 483180 |
| ChemSpider | 423750.0 |
CONTENTS
