| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID40457832 |
| InChI Key | MFTQISGNRWTJNY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H9F17I1N1O1 |
| Molecular Weight | 644.95 |
| AlogP | 7.17 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 11.0 |
| Polar Surface Area | 32.59 |
| Heavy Atoms | 33.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 852527-48-1 |
| NORMAN SUSDAT | |
| PubChem | 11181288 |
| ChemSpider | 9356377.0 |