| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 2YV6DL6VEE |
| EPA CompTox | DTXSID30190286 |
Structure
| InChI Key | FTBUKOLPOATXGV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C15H30O2 |
| Molecular Weight | 242.22 |
| AlogP | 4.86 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 12.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 17.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 3681-78-5 |
| NORMAN SUSDAT | |
| FDA SRS | 2YV6DL6VEE |
| PubChem | 77255 |
| ChemSpider | 69680.0 |
CONTENTS
