| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
Structure
| InChI Key | MCBRLKGIOZXDOU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H18O4 |
| Molecular Weight | 178.12 |
| AlogP | 0.05 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 47.92 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 29171-01-5 |
| NORMAN SUSDAT | |
| PubChem | 119865 |
CONTENTS
