| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | DU4PCE8X72 |
| EPA CompTox | DTXSID00199862 |
| InChI Key | IRTZMJWVZQYURE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H17N3O3 |
| Molecular Weight | 263.13 |
| AlogP | 0.5 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 60.93 |
| Heavy Atoms | 19.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 519-65-3 |
| NORMAN SUSDAT | |
| FDA SRS | DU4PCE8X72 |
| PubChem | 68214 |
| ChemSpider | 61521.0 |