| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 6LS7EK2FBG |
| EPA CompTox | DTXSID50186888 |
| InChI Key | OCBCFXNEEQDQGV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H8N6 |
| Molecular Weight | 188.08 |
| AlogP | -0.24 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 105.06 |
| Heavy Atoms | 14.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 33237-20-6 |
| NORMAN SUSDAT | |
| FDA SRS | 6LS7EK2FBG |
| PubChem | 99551 |
| ChemSpider | 89938.0 |