| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 7AAP3A50IG |
| EPA CompTox | DTXSID3038771 |
Structure
| InChI Key | HXVNBWAKAOHACI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H14O1 |
| Molecular Weight | 114.1 |
| AlogP | 1.87 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 565-80-0 |
| NORMAN SUSDAT | |
| FDA SRS | 7AAP3A50IG |
| PubChem | 11271 |
| ChemSpider | 10797.0 |
CONTENTS
