| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | QCHRSPCHUE |
| EPA CompTox | DTXSID7049392 |
| InChI Key | VOLRSQPSJGXRNJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H6Br1N1O2 |
| Molecular Weight | 214.96 |
| AlogP | 2.49 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 43.14 |
| Heavy Atoms | 11.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 100-11-8 |
| NORMAN SUSDAT | |
| FDA SRS | QCHRSPCHUE |
| PubChem | 66011 |
| ChemSpider | 59402.0 |