| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 0RO0SEU9AY |
| EPA CompTox | DTXSID80236522 |
| InChI Key | IPKWRNBXKKDNJA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C15H16N4O3 |
| Molecular Weight | 300.12 |
| AlogP | 1.55 |
| Hydrogen Bond Acceptor | 7.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 78.49 |
| Heavy Atoms | 22.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 87611-28-7 |
| NORMAN SUSDAT | |
| FDA SRS | 0RO0SEU9AY |