| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 5RZZ7FD395 |
| EPA CompTox | DTXSID90162065 |
Structure
| InChI Key | YMXAGOUPXPGFLB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H14O1 |
| Molecular Weight | 114.1 |
| AlogP | 2.01 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 14250-88-5 |
| NORMAN SUSDAT | |
| FDA SRS | 5RZZ7FD395 |
| PubChem | 84292 |
| ChemSpider | 76042.0 |
CONTENTS
