| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 35QVU35DY6 |
| EPA CompTox | DTXSID70962888 |
Structure
| InChI Key | LYORUPRFHVMNOI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H11NO4 |
| Molecular Weight | 173.07 |
| AlogP | -1.09 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 77.84 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 43094-95-7 |
| NORMAN SUSDAT | |
| FDA SRS | 35QVU35DY6 |
| PubChem | 198617 |
CONTENTS
