| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 0347391ZTJ |
| EPA CompTox | DTXSID50866638 |
Structure
| InChI Key | YJJIVDCKSZMHGZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H16O |
| Molecular Weight | 128.12 |
| AlogP | 2.11 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 76649-14-4 |
| NORMAN SUSDAT | |
| FDA SRS | 0347391ZTJ |
| PubChem | 42538 |
CONTENTS
