| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID50968207 |
Structure
| InChI Key | IIBNIMNYBVUIAL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H20O2 |
| Molecular Weight | 172.15 |
| AlogP | 2.42 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 53488-15-6 |
| NORMAN SUSDAT | |
| PubChem | 103790 |
CONTENTS
