| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID00197404 |
Structure
| InChI Key | NMLCFUMBGQIRJX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H18O5 |
| Molecular Weight | 218.12 |
| AlogP | 0.4 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 10.0 |
| Polar Surface Area | 53.99 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 48067-72-7 |
| NORMAN SUSDAT | |
| PubChem | 3016467 |
| ChemSpider | 2284408.0 |
CONTENTS
