| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 65ZW55JA5E |
| EPA CompTox | DTXSID20212502 |
Structure
| InChI Key | RPCJRSNYOKTFOZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H26O2 |
| Molecular Weight | 214.19 |
| AlogP | 3.89 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 18.46 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 6316-24-1 |
| NORMAN SUSDAT | |
| FDA SRS | 65ZW55JA5E |
| PubChem | 80588 |
| ChemSpider | 72779.0 |
CONTENTS
