| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | P5CN8YSV3P |
| EPA CompTox | DTXSID4022236 |
Structure
| InChI Key | LSKONYYRONEBKA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H24O1 |
| Molecular Weight | 184.18 |
| AlogP | 4.11 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 6175-49-1 |
| NORMAN SUSDAT | |
| FDA SRS | P5CN8YSV3P |
| PubChem | 22556 |
| ChemSpider | 21153.0 |
CONTENTS
