| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | KM5SCB3F4C |
| EPA CompTox | DTXSID30219486 |
Structure
| InChI Key | PQCUDKMMPTXMAL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H7F2N |
| Molecular Weight | 143.05 |
| AlogP | 1.42 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 26.02 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 69385-30-4 |
| NORMAN SUSDAT | |
| FDA SRS | KM5SCB3F4C |
| PubChem | 123563 |
CONTENTS
