| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 2LXE95V7DR |
| EPA CompTox | DTXSID0066614 |
Structure
| InChI Key | XHYOMWNQYADXSZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C15H30O3 |
| Molecular Weight | 258.22 |
| AlogP | 4.1 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 13.0 |
| Polar Surface Area | 35.53 |
| Heavy Atoms | 18.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 20442-11-9 |
| NORMAN SUSDAT | |
| FDA SRS | 2LXE95V7DR |
| PubChem | 88541 |
| ChemSpider | 79888.0 |
CONTENTS
