| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | UWR17GMV7T |
| EPA CompTox | DTXSID30170967 |
Structure
| InChI Key | YSNKZJBCZRIRQO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H16O1 |
| Molecular Weight | 164.12 |
| AlogP | 2.98 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1805-61-4 |
| NORMAN SUSDAT | |
| FDA SRS | UWR17GMV7T |
| PubChem | 96294 |
| ChemSpider | 86924.0 |
CONTENTS
