| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | D1DE63830P |
| EPA CompTox | DTXSID9048693 |
Structure
| InChI Key | UAORFCGRZIGNCI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H16N2O3 |
| Molecular Weight | 224.12 |
| AlogP | 1.63 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 75.4 |
| Heavy Atoms | 16.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 7413-36-7 |
| NORMAN SUSDAT | |
| FDA SRS | D1DE63830P |
| PubChem | 6317 |
| ChemSpider | 6078.0 |
CONTENTS
