| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | BX4NSZ89QX |
| EPA CompTox | DTXSID60176492 |
Structure
| InChI Key | KPVFRXPKBAAIIE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H26O1 |
| Molecular Weight | 198.2 |
| AlogP | 4.5 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 10.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 22026-12-6 |
| NORMAN SUSDAT | |
| FDA SRS | BX4NSZ89QX |
| PubChem | 89156 |
| ChemSpider | 80452.0 |
CONTENTS
