| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 6MCE3VTF0O |
Structure
| InChI Key | KVSKGMLNBAPGKH-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H8Br3NO2 |
| Molecular Weight | 449.92 |
| AlogP | 4.93 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 49.33 |
| Molecular species | ACID |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 19.0 |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 127105 |
| ChEMBL | CHEMBL24944 |
| EPA CompTox | DTXSID4026181 |
| FDA SRS | 6MCE3VTF0O |
| PubChem | 14868 |
| SureChEMBL | SCHEMBL121315 |
| ZINC | ZINC000000538492 |
CONTENTS