| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | QLZ8CZU2AZ |
| EPA CompTox | DTXSID3063675 |
| InChI Key | NLNRQJQXCQVDQJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H14N4O1 |
| Molecular Weight | 242.12 |
| AlogP | 1.25 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 121.15 |
| Heavy Atoms | 18.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 5007-67-0 |
| NORMAN SUSDAT | |
| FDA SRS | QLZ8CZU2AZ |
| PubChem | 78707 |
| ChemSpider | 71053.0 |