| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID7068681 |
| InChI Key | ROMDDSWHQOFEBB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C20H12Br2N2O4 |
| Molecular Weight | 501.92 |
| AlogP | 4.72 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 112.65 |
| Heavy Atoms | 28.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 51889-17-9 |
| NORMAN SUSDAT | |
| PubChem | 104002 |
| ChemSpider | 93895.0 |