| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 9684V5J83L |
Structure
| InChI Key | DUMKNGZKVPFVAR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H12F1N3 |
| Molecular Weight | 217.1 |
| AlogP | 1.81 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 65.66 |
| Heavy Atoms | 16.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 115911-28-9 |
| NORMAN SUSDAT | |
| FDA SRS | 9684V5J83L |
CONTENTS
