| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID10867222 |
Structure
| InChI Key | JORAAGBFBOAQTI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C15H33NO4 |
| Molecular Weight | 291.24 |
| AlogP | 1.01 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 15.0 |
| Polar Surface Area | 73.16 |
| Heavy Atoms | 20.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 66354-56-1 |
| NORMAN SUSDAT | |
| PubChem | 100032 |
CONTENTS
