| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 8J365YF1YH |
| EPA CompTox | DTXSID90188922 |
Structure
| InChI Key | GSCPDZHWVNUUFI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H8N2O1 |
| Molecular Weight | 136.06 |
| AlogP | 1.15 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 70.1 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 3544-24-9 |
| NORMAN SUSDAT | |
| FDA SRS | 8J365YF1YH |
| PubChem | 1645 |
| ChemSpider | 1583.0 |
CONTENTS
