| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID70978328 |
Structure
| InChI Key | ODMOFUHYUDOOFU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H16O5 |
| Molecular Weight | 180.1 |
| AlogP | -1.63 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 79.15 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 62702-36-7 |
| NORMAN SUSDAT | |
| PubChem | 3017353 |
CONTENTS
