| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | K495LUA00R |
| EPA CompTox | DTXSID1058848 |
| InChI Key | VIQMJMDPUIBXQO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C15H10Br1N1O2 |
| Molecular Weight | 314.99 |
| AlogP | 3.12 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 60.16 |
| Heavy Atoms | 19.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 81-50-5 |
| NORMAN SUSDAT | |
| FDA SRS | K495LUA00R |
| PubChem | 66480 |
| ChemSpider | 59851.0 |