| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 89TPE33M27 |
| EPA CompTox | DTXSID401317496 |
Structure
| InChI Key | PAYBYKKERMGTSS-MNCSTQPFSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H10FN3O4 |
| Molecular Weight | 243.07 |
| AlogP | -1.49 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 100.59 |
| Heavy Atoms | 17.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 37717-21-8 |
| NORMAN SUSDAT | |
| FDA SRS | 89TPE33M27 |
| PubChem | 3034016 |
CONTENTS
