| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | MEC6MCY7QB |
| EPA CompTox | DTXSID6041503 |
Structure
| InChI Key | XNFIRYXKTXAHAC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H5Br1Cl1F3N2 |
| Molecular Weight | 347.93 |
| AlogP | 4.99 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 39.58 |
| Heavy Atoms | 19.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 122454-29-9 |
| NORMAN SUSDAT | |
| FDA SRS | MEC6MCY7QB |
| PubChem | 183559 |
| ChemSpider | 159609.0 |
CONTENTS
