| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID3070549 |
| InChI Key | PBUKNKCXMIEGOO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C17H20N4O4 |
| Molecular Weight | 344.15 |
| AlogP | 3.11 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 111.56 |
| Heavy Atoms | 25.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 67674-25-3 |
| NORMAN SUSDAT | |
| PubChem | 105525 |
| ChemSpider | 95160.0 |