| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | LH2MTW54VJ |
| EPA CompTox | DTXSID80196213 |
Structure
| InChI Key | DEFUSPNGFCCTEU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H24O1 |
| Molecular Weight | 196.18 |
| AlogP | 3.51 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 4453-82-1 |
| NORMAN SUSDAT | |
| FDA SRS | LH2MTW54VJ |
| PubChem | 78197 |
| ChemSpider | 70573.0 |
CONTENTS
