| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID401006445 |
Structure
| InChI Key | SHSYIUNPNAKBKC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H30O4 |
| Molecular Weight | 262.21 |
| AlogP | 1.59 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 13.0 |
| Polar Surface Area | 80.92 |
| Heavy Atoms | 18.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 85866-10-0 |
| NORMAN SUSDAT | |
| PubChem | 3020999 |
CONTENTS
