| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID10239809 |
Structure
| InChI Key | OJJGNIICITWWPL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H22O3 |
| Molecular Weight | 190.16 |
| AlogP | 1.45 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 38.69 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 93859-36-0 |
| NORMAN SUSDAT | |
| PubChem | 3022735 |
| ChemSpider | 2289159.0 |
CONTENTS
