| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | XBU69CCN6Y |
| EPA CompTox | DTXSID5064752 |
Structure
| InChI Key | XIFDDGOEJJEZBQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C17H37N1O1 |
| Molecular Weight | 271.29 |
| AlogP | 5.05 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 16.0 |
| Polar Surface Area | 35.25 |
| Heavy Atoms | 19.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 7617-82-5 |
| NORMAN SUSDAT | |
| FDA SRS | XBU69CCN6Y |
| PubChem | 82089 |
| ChemSpider | 74086.0 |
CONTENTS
