| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID50146225 |
Structure
| InChI Key | BAAUCXCLMDAZEL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H5Br1N2O2 |
| Molecular Weight | 215.95 |
| AlogP | 1.94 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 69.16 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 10403-47-1 |
| NORMAN SUSDAT | |
| PubChem | 82607 |
| ChemSpider | 74546.0 |
CONTENTS
