| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 5CZK3K1YPB |
| EPA CompTox | DTXSID3032337 |
Structure
| InChI Key | SPNQRCTZKIBOAX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H21N3O4 |
| Molecular Weight | 295.15 |
| AlogP | 4.01 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 98.31 |
| Heavy Atoms | 21.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 33629-47-9 |
| NORMAN SUSDAT | |
| FDA SRS | 5CZK3K1YPB |
| PubChem | 36565 |
| ChemSpider | 33600.0 |
CONTENTS
