| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID1066316 |
Structure
| InChI Key | DJLLTFRHLPVCEL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H10N2 |
| Molecular Weight | 122.08 |
| AlogP | 1.43 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 25.78 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 18138-03-9 |
| NORMAN SUSDAT | |
| PubChem | 87466 |
| ChemSpider | 78899.0 |
CONTENTS
