| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | E347K77NR4 |
| EPA CompTox | DTXSID90170423 |
Structure
| InChI Key | BHWHYGWMNMCXBA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H6FN2O2 |
| Molecular Weight | 156.03 |
| AlogP | 1.32 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 69.16 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 17809-36-8 |
| NORMAN SUSDAT | |
| FDA SRS | E347K77NR4 |
| PubChem | 87316 |
CONTENTS
