| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 736974CF3U |
| EPA CompTox | DTXSID9025243 |
Structure
| InChI Key | MPGABYXKKCLIRW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H24O1 |
| Molecular Weight | 184.18 |
| AlogP | 3.92 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 12.53 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2855-19-8 |
| NORMAN SUSDAT | |
| FDA SRS | 736974CF3U |
| PubChem | 17858 |
| ChemSpider | 16868.0 |
CONTENTS
