| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | KD5R9G6FVY |
| EPA CompTox | DTXSID4067301 |
| InChI Key | AIARLPIXVMHZLJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C14H9Br1N2O4 |
| Molecular Weight | 347.97 |
| AlogP | 1.8 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 4.0 |
| Polar Surface Area | 126.64 |
| Heavy Atoms | 21.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 27312-18-1 |
| NORMAN SUSDAT | |
| FDA SRS | KD5R9G6FVY |
| PubChem | 117969 |
| ChemSpider | 105412.0 |