| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID0071415 |
Structure
| InChI Key | NSYHEQFRUDHVBP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H18N4 |
| Molecular Weight | 182.15 |
| AlogP | -0.61 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 51.09 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 68310-66-7 |
| NORMAN SUSDAT | |
| PubChem | 110029 |
| ChemSpider | 96072.0 |
CONTENTS
