| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | G9YP8FUT5R |
| EPA CompTox | DTXSID90171278 |
Structure
| InChI Key | ABFCOHSGVBONIO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H18O2 |
| Molecular Weight | 170.13 |
| AlogP | 2.19 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 18.46 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 18229-85-1 |
| NORMAN SUSDAT | |
| FDA SRS | G9YP8FUT5R |
| PubChem | 87519 |
| ChemSpider | 78951.0 |
CONTENTS
