| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID10879441 |
| InChI Key | BYZHUFNLXFFINU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H10Br1N1O1 |
| Molecular Weight | 226.99 |
| AlogP | 3.37 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 32.59 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 90914-81-1 |
| NORMAN SUSDAT | |
| PubChem | 738336 |
| ChemSpider | 192955.0 |