| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID10165816 |
Structure
| InChI Key | AETHUDGJSSKZKT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H8N2O2 |
| Molecular Weight | 152.06 |
| AlogP | 1.61 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 56.03 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 15513-52-7 |
| NORMAN SUSDAT | |
| PubChem | 84958 |
| ChemSpider | 76639.0 |
CONTENTS
