| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | PJK55CL7Z5 |
| EPA CompTox | DTXSID8065828 |
Structure
| InChI Key | LRZGRGVRZSDRTK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H14O1 |
| Molecular Weight | 126.1 |
| AlogP | 1.56 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 14916-80-4 |
| NORMAN SUSDAT | |
| FDA SRS | PJK55CL7Z5 |
| PubChem | 84694 |
| ChemSpider | 76404.0 |
CONTENTS
