| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | DT8RVN6PBT |
| EPA CompTox | DTXSID4060608 |
| InChI Key | KFBOUJZFFJDYTA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H8N2O2 |
| Molecular Weight | 152.06 |
| AlogP | 1.64 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 55.17 |
| Heavy Atoms | 11.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 612-28-2 |
| NORMAN SUSDAT | |
| FDA SRS | DT8RVN6PBT |
| PubChem | 69157 |
| ChemSpider | 62372.0 |