| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | QE8R3LQ24N |
| EPA CompTox | DTXSID1061027 |
Structure
| InChI Key | IPRCBIWIPMJXIK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H8N2O2 |
| Molecular Weight | 152.06 |
| AlogP | 1.3 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 76.34 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 701-82-6 |
| NORMAN SUSDAT | |
| FDA SRS | QE8R3LQ24N |
| PubChem | 12796 |
| ChemSpider | 12269.0 |
CONTENTS
