| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | XVT6ME57CF |
| EPA CompTox | DTXSID80185263 |
Structure
| InChI Key | TZZVRLFUTNYDEG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H16O |
| Molecular Weight | 140.12 |
| AlogP | 1.95 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 31333-13-8 |
| NORMAN SUSDAT | |
| FDA SRS | XVT6ME57CF |
| PubChem | 123437 |
CONTENTS
