| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 2X5V7B6KKR |
| EPA CompTox | DTXSID00157003 |
Structure
| InChI Key | GRTBNOKQBKPUGM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H22O4 |
| Molecular Weight | 206.15 |
| AlogP | 0.83 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 11.0 |
| Polar Surface Area | 47.92 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 13133-29-4 |
| NORMAN SUSDAT | |
| FDA SRS | 2X5V7B6KKR |
| PubChem | 25733 |
| ChemSpider | 23973.0 |
CONTENTS
