| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID1071327 |
| InChI Key | GUTWGLKCVAFMPJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C21H13Br2N1O3 |
| Molecular Weight | 484.93 |
| AlogP | 5.74 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 66.4 |
| Heavy Atoms | 27.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 68239-61-2 |
| NORMAN SUSDAT | |
| PubChem | 109905 |
| ChemSpider | 98736.0 |