| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | N5U0ZL00CI |
| EPA CompTox | DTXSID20868280 |
Structure
| InChI Key | WTZJUXYVLRJTMQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H16O2 |
| Molecular Weight | 144.12 |
| AlogP | 1.94 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 18.46 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 74094-60-3 |
| NORMAN SUSDAT | |
| FDA SRS | N5U0ZL00CI |
| PubChem | 156273 |
CONTENTS
