| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | U39MM4M3FM |
| EPA CompTox | DTXSID2052316 |
Structure
| InChI Key | FTMSYMOBBRINAR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H22O2 |
| Molecular Weight | 198.16 |
| AlogP | 3.3 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 63449-88-7 |
| NORMAN SUSDAT | |
| FDA SRS | U39MM4M3FM |
| PubChem | 94608 |
| ChemSpider | 85371.0 |
CONTENTS
