| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 0PWH60280I |
| EPA CompTox | DTXSID90698091 |
Structure
| InChI Key | CTLMNNSGIIMNPA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H20O2 |
| Molecular Weight | 160.15 |
| AlogP | 2.43 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 18.46 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 238757-42-1 |
| NORMAN SUSDAT | |
| FDA SRS | 0PWH60280I |
CONTENTS
