| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID20233510 |
Structure
| InChI Key | NNGSAOWVXUXCDK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H9N5O2 |
| Molecular Weight | 171.08 |
| AlogP | -1.93 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 5.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 121.63 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 84522-07-6 |
| NORMAN SUSDAT | |
| PubChem | 11970841 |
| ChemSpider | 10144222.0 |
CONTENTS
