| Molecule Category | Free-form |
| UNII | S04CWW41HM |
| EPA CompTox | DTXSID9058020 |
| 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 | AMSPWOYQQAWRRM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C19H21BrO5 |
| Molecular Weight | 409.27 |
| AlogP | 4.89 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 53.99 |
| Heavy Atoms | 25.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 220899-03-6 |
| ChEMBL | CHEMBL2288405 |
| FDA SRS | S04CWW41HM |
| PubChem | 6451057 |
| SureChEMBL | SCHEMBL20788 |
| ZINC | ZINC33985665 |
CONTENTS
