| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID70233500 |
Structure
| InChI Key | KQKSCWCKLKLXJS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H9Br1N4O1 |
| Molecular Weight | 220.0 |
| AlogP | -0.15 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 52.71 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 84501-67-7 |
| NORMAN SUSDAT | |
| PubChem | 3019915 |
| ChemSpider | 2286957.0 |
CONTENTS
