| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | QP2NF456XV |
| EPA CompTox | DTXSID9060364 |
Structure
| InChI Key | ORPVVAKYSXQCJI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H4Br1N1O2 |
| Molecular Weight | 200.94 |
| AlogP | 2.36 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 43.14 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 577-19-5 |
| NORMAN SUSDAT | |
| FDA SRS | QP2NF456XV |
| PubChem | 11341 |
| ChemSpider | 10864.0 |
CONTENTS
