| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 8NKM27KEV3 |
| EPA CompTox | DTXSID2066989 |
Structure
| InChI Key | ROSYAUHHRKAPHX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H8N2 |
| Molecular Weight | 120.07 |
| AlogP | 1.09 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 28.72 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 24437-41-0 |
| NORMAN SUSDAT | |
| FDA SRS | 8NKM27KEV3 |
| PubChem | 90501 |
| ChemSpider | 81710.0 |
CONTENTS
