| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 824RRR96HJ |
| EPA CompTox | DTXSID80207651 |
| InChI Key | FMWWRALTYIWZEB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H13N3O1 |
| Molecular Weight | 167.11 |
| AlogP | 0.89 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 47.78 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 58905-32-1 |
| NORMAN SUSDAT | |
| FDA SRS | 824RRR96HJ |
| PubChem | 100877 |
| ChemSpider | 91142.0 |