| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | LB4D00V63H |
| EPA CompTox | DTXSID90883743 |
Structure
| InChI Key | SDZQUCJFTUULJX-PLNGDYQASA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H14O |
| Molecular Weight | 114.1 |
| AlogP | 1.73 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1708-81-2 |
| NORMAN SUSDAT | |
| FDA SRS | LB4D00V63H |
CONTENTS
