| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | H9KS8E9YE9 |
| EPA CompTox | DTXSID4067800 |
Structure
| InChI Key | IJXBLOJMKJMYGR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H28O2 |
| Molecular Weight | 216.21 |
| AlogP | 3.53 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 12.0 |
| Polar Surface Area | 29.46 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 33925-62-1 |
| NORMAN SUSDAT | |
| FDA SRS | H9KS8E9YE9 |
| PubChem | 118576 |
| ChemSpider | 105977.0 |
CONTENTS
