| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID8071013 |
Structure
| InChI Key | LXCCBDKCWSQJKW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H14N2O1 |
| Molecular Weight | 166.11 |
| AlogP | 1.68 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 35.01 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 68039-33-8 |
| NORMAN SUSDAT | |
| PubChem | 106439 |
| ChemSpider | 95830.0 |
CONTENTS
