| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 8NDY44R4NW |
| EPA CompTox | DTXSID9059202 |
Structure
| InChI Key | MBUPVGIGAMCMBT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H6Br1N1O3 |
| Molecular Weight | 242.95 |
| AlogP | 2.17 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 60.21 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 99-81-0 |
| NORMAN SUSDAT | |
| FDA SRS | 8NDY44R4NW |
| PubChem | 66840 |
| ChemSpider | 60204.0 |
CONTENTS
