| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | QL92EDE6QN |
| EPA CompTox | DTXSID00195324 |
Structure
| InChI Key | NKXPRYBNUGINBZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H5Br1N4 |
| Molecular Weight | 211.97 |
| AlogP | 0.71 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Polar Surface Area | 89.45 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 42530-03-0 |
| NORMAN SUSDAT | |
| FDA SRS | QL92EDE6QN |
| PubChem | 170668 |
| ChemSpider | 149209.0 |
CONTENTS
