| Molecule Category | Free-form |
| UNII | VO5437P1A2 |
| 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 | DXXVCXKMSWHGTF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H9Cl2NO4 |
| Molecular Weight | 314.12 |
| AlogP | 4.6 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 64.28 |
| Heavy Atoms | 20.0 |
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL2268939 |
| FDA SRS | VO5437P1A2 |
| PubChem | 36250 |
| SureChEMBL | SCHEMBL38653 |
CONTENTS
