| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | M4L9WR3FMB |
| EPA CompTox | DTXSID80234240 |
Structure
| InChI Key | KTXFXDMDYZIXSJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H5F2NO |
| Molecular Weight | 157.03 |
| AlogP | 1.85 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 44.08 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 85118-02-1 |
| NORMAN SUSDAT | |
| FDA SRS | M4L9WR3FMB |
| PubChem | 123588 |
CONTENTS
