| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | BJO8IH9097 |
| EPA CompTox | DTXSID80188850 |
Structure
| InChI Key | SZIREXDQZMDDJM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H16O4 |
| Molecular Weight | 212.1 |
| AlogP | 1.47 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 52.6 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 35357-77-8 |
| NORMAN SUSDAT | |
| FDA SRS | BJO8IH9097 |
| PubChem | 3084608 |
| ChemSpider | 2341645.0 |
CONTENTS
