| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | H2E9EAQ44S |
| EPA CompTox | DTXSID90236755 |
Structure
| InChI Key | INUOFQAJCYUOJR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6HF5NO2 |
| Molecular Weight | 212.98 |
| AlogP | 2.29 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 43.14 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 880-78-4 |
| NORMAN SUSDAT | |
| FDA SRS | H2E9EAQ44S |
| PubChem | 70154 |
CONTENTS
