| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | BGX2I4IB38 |
| EPA CompTox | DTXSID50203180 |
| InChI Key | GSXISOIYTHIBLC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C6H5N5 |
| Molecular Weight | 147.05 |
| AlogP | -0.24 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 103.01 |
| Heavy Atoms | 11.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 54711-21-6 |
| NORMAN SUSDAT | |
| FDA SRS | BGX2I4IB38 |
| PubChem | 95185 |
| ChemSpider | 85890.0 |