| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 37VKD7067M |
| EPA CompTox | DTXSID6043838 |
Structure
| InChI Key | VXTWEDPZMSVFEF-UHFFFAOYNA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H14N2 |
| Molecular Weight | 150.12 |
| AlogP | 1.08 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 38.05 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 55-52-7 |
| NORMAN SUSDAT | |
| FDA SRS | 37VKD7067M |
| ChemSpider | 5716.0 |
CONTENTS
