| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | VFF2A6X8YA |
| EPA CompTox | DTXSID60188358 |
Structure
| InChI Key | JWCACDSKXWPOFF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H28O1 |
| Molecular Weight | 200.21 |
| AlogP | 4.55 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 11.0 |
| Polar Surface Area | 9.23 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 3482-63-1 |
| NORMAN SUSDAT | |
| FDA SRS | VFF2A6X8YA |
| PubChem | 77032 |
| ChemSpider | 69478.0 |
CONTENTS
