| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID50207860 |
| InChI Key | HAPHGZZVMBJCOX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C15H16N4O3 |
| Molecular Weight | 300.12 |
| AlogP | 2.95 |
| Hydrogen Bond Acceptor | 6.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 91.04 |
| Heavy Atoms | 22.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 59118-28-4 |
| NORMAN SUSDAT | |
| PubChem | 100957 |
| ChemSpider | 91211.0 |