| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
Structure
| InChI Key | YHVBXKTXLJTDRI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H5Br1N4 |
| Molecular Weight | 223.97 |
| AlogP | 1.63 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 54.46 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 73096-42-1 |
| NORMAN SUSDAT |
CONTENTS
