| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | KL73ZZ44EZ |
| EPA CompTox | DTXSID00186792 |
| InChI Key | QENUTIJJGGTTPE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H11N3 |
| Molecular Weight | 161.1 |
| AlogP | 1.38 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 39.12 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 3314-35-0 |
| NORMAN SUSDAT | |
| FDA SRS | KL73ZZ44EZ |
| PubChem | 98736 |
| ChemSpider | 89176.0 |