| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | Z74704XU6I |
| EPA CompTox | DTXSID1041681 |
Structure
| InChI Key | XTFNPKDYCLFGPV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H7Br2N3O6 |
| Molecular Weight | 458.87 |
| AlogP | 4.15 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 128.1 |
| Heavy Atoms | 24.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 13181-17-4 |
| NORMAN SUSDAT | |
| FDA SRS | Z74704XU6I |
| ChemSpider | 4514502.0 |
CONTENTS
