| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID90539192 |
| InChI Key | XWDNLTCJJYYYCI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H13N5O1 |
| Molecular Weight | 195.11 |
| AlogP | -0.4 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 76.3 |
| Heavy Atoms | 14.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 5767-36-2 |
| NORMAN SUSDAT | |
| PubChem | 13393622 |
| ChemSpider | 21501400.0 |