| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 2ACE4T7MME |
| EPA CompTox | DTXSID10235467 |
Structure
| InChI Key | AEZJNQZYZFLLIY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C16H30O3 |
| Molecular Weight | 270.22 |
| AlogP | 4.0 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 13.0 |
| Polar Surface Area | 46.53 |
| Heavy Atoms | 19.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 86282-42-0 |
| NORMAN SUSDAT | |
| FDA SRS | 2ACE4T7MME |
| PubChem | 3021106 |
| ChemSpider | 2287802.0 |
CONTENTS
