| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 647ERY9JBN |
| EPA CompTox | DTXSID30193671 |
| InChI Key | GTJGHXLFPMOKCE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C4H5F6N |
| Molecular Weight | 181.03 |
| AlogP | 1.7 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 12.03 |
| Heavy Atoms | 11.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 407-01-2 |
| NORMAN SUSDAT | |
| FDA SRS | 647ERY9JBN |
| PubChem | 78999 |