| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID50240777 |
| InChI Key | QJLCMWNBAWWWHS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C11H10Br1N1O1 |
| Molecular Weight | 250.99 |
| AlogP | 2.88 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 33.12 |
| Heavy Atoms | 14.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 94136-01-3 |
| NORMAN SUSDAT | |
| PubChem | 3023742 |
| ChemSpider | 2289835.0 |