| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID10974521 |
Structure
| InChI Key | BRPQFUCEJUMNGY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C19H40O3 |
| Molecular Weight | 316.3 |
| AlogP | 4.81 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 16.0 |
| Polar Surface Area | 38.69 |
| Heavy Atoms | 22.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 59068-04-1 |
| NORMAN SUSDAT | |
| PubChem | 100947 |
CONTENTS
