| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | SQN9M14S1Y |
| EPA CompTox | DTXSID50178829 |
Structure
| InChI Key | PDOWLYNSFYZIQX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H6Br1N1O1 |
| Molecular Weight | 186.96 |
| AlogP | 1.85 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 22.12 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 24100-18-3 |
| NORMAN SUSDAT | |
| FDA SRS | SQN9M14S1Y |
| PubChem | 90364 |
| ChemSpider | 81583.0 |
CONTENTS
