| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 8AUX72LL1P |
| EPA CompTox | DTXSID7057735 |
Structure
| InChI Key | SADPINFEWFPMEA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H12N2O2 |
| Molecular Weight | 180.09 |
| AlogP | 0.33 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 45.48 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 40172-95-0 |
| NORMAN SUSDAT | |
| FDA SRS | 8AUX72LL1P |
| PubChem | 550206 |
| ChemSpider | 478652.0 |
CONTENTS
