| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 3ZU9GWD6VV |
| EPA CompTox | DTXSID30175270 |
Structure
| InChI Key | ROJNMGYMBLNTPK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H3F3NO2 |
| Molecular Weight | 177.0 |
| AlogP | 2.01 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 43.14 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2105-61-5 |
| NORMAN SUSDAT | |
| FDA SRS | 3ZU9GWD6VV |
| PubChem | 75012 |
CONTENTS
