| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | X8H8HFT75V |
| EPA CompTox | DTXSID00143007 |
Structure
| InChI Key | UQXNEWQGGVUVQA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H17N1O2 |
| Molecular Weight | 159.13 |
| AlogP | 1.37 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 63.32 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1002-57-9 |
| NORMAN SUSDAT | |
| FDA SRS | X8H8HFT75V |
| PubChem | 66085 |
| ChemSpider | 59474.0 |
CONTENTS
