| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID40204686 |
Structure
| InChI Key | KCROXMKUVBDUMP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H14O5 |
| Molecular Weight | 190.08 |
| AlogP | 0.17 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 83.83 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 56149-52-1 |
| NORMAN SUSDAT | |
| PubChem | 92032 |
| ChemSpider | 83095.0 |
CONTENTS
