| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 69DXD2UV92 |
| EPA CompTox | DTXSID40234206 |
Structure
| InChI Key | IHYBDNMNEPKOEB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H20O5 |
| Molecular Weight | 244.13 |
| AlogP | 1.2 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 72.83 |
| Heavy Atoms | 17.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 85099-10-1 |
| NORMAN SUSDAT | |
| FDA SRS | 69DXD2UV92 |
| PubChem | 3020350 |
| ChemSpider | 2287270.0 |
CONTENTS
