| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID3065405 |
Structure
| InChI Key | CGPPWNTVTNCHDO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H5Br1N2O2 |
| Molecular Weight | 215.95 |
| AlogP | 1.94 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 69.16 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 13296-94-1 |
| NORMAN SUSDAT | |
| PubChem | 25840 |
| ChemSpider | 8269.0 |
CONTENTS
