| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID40944474 |
Structure
| InChI Key | TVPBCGITZQHSSI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C16H34O3 |
| Molecular Weight | 274.25 |
| AlogP | 3.67 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 14.0 |
| Polar Surface Area | 49.69 |
| Heavy Atoms | 19.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 21875-81-0 |
| NORMAN SUSDAT | |
| PubChem | 89545 |
CONTENTS
