| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | J2W7BC2P46 |
| EPA CompTox | DTXSID90210772 |
Structure
| InChI Key | FZUOVWLTJMRMHO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H18O5 |
| Molecular Weight | 254.12 |
| AlogP | 2.28 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 53.99 |
| Heavy Atoms | 18.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 6178-45-6 |
| NORMAN SUSDAT | |
| FDA SRS | J2W7BC2P46 |
| PubChem | 80315 |
| ChemSpider | 72552.0 |
CONTENTS
