| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 5968Y6H45M |
| EPA CompTox | DTXSID00943185 |
| InChI Key | QDGZDCVAUDNJFG-PPSBICQBSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H15N5O3 |
| Molecular Weight | 277.12 |
| AlogP | -0.59 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 5.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 131.04 |
| Heavy Atoms | 20.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 209216-23-9 |
| NORMAN SUSDAT | |
| FDA SRS | 5968Y6H45M |
| PubChem | 170343 |
| ChemSpider | 148942.0 |