| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | WTY84QBP4T |
| EPA CompTox | DTXSID50862695 |
Structure
| InChI Key | ICEQLCZWZXUUIJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H22O |
| Molecular Weight | 158.17 |
| AlogP | 3.12 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1565-81-7 |
| NORMAN SUSDAT | |
| FDA SRS | WTY84QBP4T |
CONTENTS
