| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID40178772 |
Structure
| InChI Key | WBIWIXJUBVWKLS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H20N4 |
| Molecular Weight | 172.17 |
| AlogP | -1.56 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 53.32 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 24028-46-4 |
| NORMAN SUSDAT | |
| PubChem | 90347 |
| ChemSpider | 81567.0 |
CONTENTS
