| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 0E91VA2HX9 |
| EPA CompTox | DTXSID4067569 |
| InChI Key | JRZNCVVXDWABEX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H16N4O1 |
| Molecular Weight | 244.13 |
| AlogP | 1.41 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 61.93 |
| Heavy Atoms | 18.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 30707-77-8 |
| NORMAN SUSDAT | |
| FDA SRS | 0E91VA2HX9 |
| PubChem | 100660 |
| ChemSpider | 90946.0 |