| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | LJ1U3W65NW |
| EPA CompTox | DTXSID00197040 |
Structure
| InChI Key | XOQRKINTHIDGND-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H16O2 |
| Molecular Weight | 168.12 |
| AlogP | 2.6 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 37.3 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 471-90-9 |
| NORMAN SUSDAT | |
| FDA SRS | LJ1U3W65NW |
| PubChem | 3013889 |
| ChemSpider | 2282459.0 |
CONTENTS
