| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | R57Y77S7R5 |
| EPA CompTox | DTXSID30864955 |
Structure
| InChI Key | XKPTXCDASJWOLK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H16O2 |
| Molecular Weight | 132.12 |
| AlogP | 1.8 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 18.46 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 20680-10-8 |
| NORMAN SUSDAT | |
| FDA SRS | R57Y77S7R5 |
| PubChem | 30220 |
CONTENTS
