| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 0GKA6U7Q9G |
| EPA CompTox | DTXSID30865023 |
Structure
| InChI Key | DWUPJMHAPOQKGJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H18O1 |
| Molecular Weight | 142.14 |
| AlogP | 2.5 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 21964-44-3 |
| NORMAN SUSDAT | |
| FDA SRS | 0GKA6U7Q9G |
| PubChem | 89560 |
| ChemSpider | 80830.0 |
CONTENTS
