| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | JF32G3I7Q1 |
| EPA CompTox | DTXSID50958365 |
Structure
| InChI Key | QWEHQNZGVUHHME-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H16O2 |
| Molecular Weight | 144.12 |
| AlogP | 1.52 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 37.3 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 37160-77-3 |
| NORMAN SUSDAT | |
| FDA SRS | JF32G3I7Q1 |
CONTENTS
