| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | A40PF8120T |
| EPA CompTox | DTXSID50150923 |
Structure
| InChI Key | XRVCFZPJAHWYTB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H16O2 |
| Molecular Weight | 132.12 |
| AlogP | 0.78 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 40.46 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 115-76-4 |
| NORMAN SUSDAT | |
| FDA SRS | A40PF8120T |
| PubChem | 8284 |
| ChemSpider | 7983.0 |
CONTENTS
