| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | Y050HYR4XA |
| EPA CompTox | DTXSID3041295 |
Structure
| InChI Key | RGRVGOMPHMWMJX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H22O5 |
| Molecular Weight | 270.15 |
| AlogP | 1.11 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 12.0 |
| Polar Surface Area | 57.15 |
| Heavy Atoms | 19.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 36366-93-5 |
| NORMAN SUSDAT | |
| FDA SRS | Y050HYR4XA |
| PubChem | 37428 |
| ChemSpider | 34336.0 |
CONTENTS
