| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 7LT7Z4Q9XR |
| EPA CompTox | DTXSID5047162 |
Structure
| InChI Key | KLTVSWGXIAYTHO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H14O |
| Molecular Weight | 126.1 |
| AlogP | 2.32 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 4312-99-6 |
| NORMAN SUSDAT | |
| FDA SRS | 7LT7Z4Q9XR |
| PubChem | 61346 |
CONTENTS
