| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | SD5GA7KV5R |
| EPA CompTox | DTXSID30150108 |
Structure
| InChI Key | WITMXBRCQWOZPX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H8N2 |
| Molecular Weight | 144.07 |
| AlogP | 1.87 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 17.82 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1126-00-7 |
| NORMAN SUSDAT | |
| FDA SRS | SD5GA7KV5R |
| PubChem | 70769 |
| ChemSpider | 63934.0 |
CONTENTS
