| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 96AN4P4BDX |
| EPA CompTox | DTXSID00215854 |
Structure
| InChI Key | PAWVOCWEWJXILY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H7FN2O |
| Molecular Weight | 154.05 |
| AlogP | 1.73 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 56.11 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 656-31-5 |
| NORMAN SUSDAT | |
| FDA SRS | 96AN4P4BDX |
| PubChem | 12606 |
CONTENTS
