| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID8065951 |
Structure
| InChI Key | NUIMPSFZBALNHW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H11N5 |
| Molecular Weight | 165.1 |
| AlogP | -0.18 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 92.17 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 15821-36-0 |
| NORMAN SUSDAT | |
| PubChem | 85123 |
| ChemSpider | 76772.0 |
CONTENTS
