| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | N9900K2RBT |
Structure
| InChI Key | CTFFKFYWSOSIAA-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H9Br2NO2 |
| Molecular Weight | 371.03 |
| AlogP | 4.17 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 49.33 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 18.0 |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL21869 |
| EPA CompTox | DTXSID1041500 |
| FDA SRS | N9900K2RBT |
| PubChem | 14839 |
| SureChEMBL | SCHEMBL646973 |
| ZINC | ZINC000000608319 |
CONTENTS