| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID30336622 |
Structure
| InChI Key | MIJJHRIQVWIQGL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H16O1 |
| Molecular Weight | 140.12 |
| AlogP | 2.55 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 9.23 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 14543-49-8 |
| NORMAN SUSDAT | |
| PubChem | 535026 |
| ChemSpider | 4515316.0 |
CONTENTS
