| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 52GZD1I41N |
| EPA CompTox | DTXSID8024157 |
Structure
| InChI Key | NEKOXWSIMFDGMA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C15H23N3O4 |
| Molecular Weight | 309.17 |
| AlogP | 4.25 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 89.52 |
| Heavy Atoms | 22.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 33820-53-0 |
| NORMAN SUSDAT | |
| FDA SRS | 52GZD1I41N |
| PubChem | 36606 |
| ChemSpider | 33636.0 |
CONTENTS
