| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | R5T5F3Q8HR |
| EPA CompTox | DTXSID0061321 |
Structure
| InChI Key | XSXYESVZDBAKKT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H8N2O2 |
| Molecular Weight | 152.06 |
| AlogP | 0.57 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 78.84 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 936-02-7 |
| NORMAN SUSDAT | |
| FDA SRS | R5T5F3Q8HR |
| PubChem | 13637 |
| ChemSpider | 13048.0 |
CONTENTS
