| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 36W2L722UX |
| EPA CompTox | DTXSID2044559 |
Structure
| InChI Key | ITVQAKZNYJEWKS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H16F3N3O4 |
| Molecular Weight | 347.11 |
| AlogP | 4.15 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 89.52 |
| Heavy Atoms | 24.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 26399-36-0 |
| NORMAN SUSDAT | |
| FDA SRS | 36W2L722UX |
| PubChem | 33500 |
| ChemSpider | 30913.0 |
CONTENTS
