| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | NQO2JJ740G |
| EPA CompTox | DTXSID40886209 |
Structure
| InChI Key | WDXAMNXWZLXISB-BQYQJAHWSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H20O2 |
| Molecular Weight | 184.15 |
| AlogP | 3.08 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 56922-74-8 |
| NORMAN SUSDAT | |
| FDA SRS | NQO2JJ740G |
| PubChem | 5352974 |
| ChemSpider | 4509760.0 |
CONTENTS
