| Molecule Category | Free-form |
| 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 ... |
| InChI Key | CREAIABBIBLLHG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C20H7Cl3F5N3O2S |
| Molecular Weight | 554.7 |
| AlogP | 8.16 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 80.09 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 34.0 |
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL2288117 |
| PubChem | 13881117 |