| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | M448L2V8XP |
| EPA CompTox | DTXSID60866740 |
Structure
| InChI Key | XDKCGKQHVBOOHC-QGZVFWFLSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C17H14BrFN2O2 |
| Molecular Weight | 376.02 |
| AlogP | 3.72 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 45.06 |
| Heavy Atoms | 23.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 59128-97-1 |
| NORMAN SUSDAT | |
| FDA SRS | M448L2V8XP |
CONTENTS
