| Synonyms | |
| Molecule Category | Free-form |
| UNII | 2JTS8R821G |
| Source | Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ... |
Structure
| InChI Key | OWZREIFADZCYQD-NSHGMRRFSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C22H19Br2NO3 |
| Molecular Weight | 505.2 |
| AlogP | 5.52 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 59.32 |
| Heavy Atoms | 28.0 |
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL1593566 |
| FDA SRS | 2JTS8R821G |
| PubChem | 40585 |
| SureChEMBL | SCHEMBL22196 |
| ZINC | ZINC01532094 |
CONTENTS
