| Synonyms | |
| Molecule Category | Free-form |
| UNII | KSB85XT26Y |
| 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 | SUSRORUBZHMPCO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H9Cl2NO5 |
| Molecular Weight | 342.13 |
| AlogP | 4.47 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 81.34 |
| Heavy Atoms | 22.0 |
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL449928 |
| FDA SRS | KSB85XT26Y |
| PubChem | 39230 |
| SureChEMBL | SCHEMBL38816 |
| ZINC | ZINC00900751 |
CONTENTS
