| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | TW8EM4L4H7 |
| EPA CompTox | DTXSID90183659 |
Structure
| InChI Key | YULRZMYHLLQZEI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H14N2O1 |
| Molecular Weight | 166.11 |
| AlogP | 1.02 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 25.36 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 29450-09-7 |
| NORMAN SUSDAT | |
| FDA SRS | TW8EM4L4H7 |
| PubChem | 96499 |
| ChemSpider | 87116.0 |
CONTENTS
