| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | SVJ2V07DZM |
| EPA CompTox | DTXSID70188783 |
| InChI Key | WHXLHIGUTBQVOF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H8Br1N1O3 |
| Molecular Weight | 244.97 |
| AlogP | 1.74 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 72.55 |
| Heavy Atoms | 13.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 35290-97-2 |
| NORMAN SUSDAT | |
| FDA SRS | SVJ2V07DZM |
| PubChem | 618706 |
| ChemSpider | 537711.0 |